Computed Properties
Complexity:
71.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.167g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.285g/mol
Monoisotopic Mass:
158.167g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Synonyms
2-Propylheptan-1-ol
2-PROPYL-1-HEPTANOL
YLQLIQIAXYRMDL-UHFFFAOYSA-N
MFCD00046768
2-propyl heptanol
2-propyl-heptan-1-ol
ACMC-20ann4
AC1L2NPV
AC1Q2VOE
2-Propyl-1-heptanol #
DSSTox_CID_9302
EC 233-126-1
10042-59-8
DSSTox_RID_78756
DSSTox_GSID_29302
SCHEMBL21366
4-01-00-01827 (Beilstein Handbook Reference)
CHEMBL3186950
DTXSID9029302
CTK0H6835
KS-000000GH
Tox21_300903
SBB043960
1-Heptanol, 2-propyl-
AKOS000274315
AKOS016037548
MCULE-6284162552
NCGC00248205-01
NCGC00254807-01
AK144207
AS-40646
LS-74457
SC-49492
CAS-10042-59-8
2-Propylheptanol
RT-001439
CS-0061487
FT-0674101
ST50179475
086P588
C-52817
I14-60043
UNII-ROZ1V94YZK
ROZ1V94YZK
Sodium 2-naphthyloxyacetate
2-n-Propyl-1-Heptanol
2-n-Propyl-1-heptanol,98%
C10H22O
CID24847
C10-H22-O
86-58-8
2-Propylheptyl Alcohol
EINECS 233-126-1
BRN 1361442
AI3-25311
