9-hexylheptadecan-7-ol

C23H48O — CID 19871685

IUPAC9-hexylheptadecan-7-ol
SMILESCCCCCCCCC(CCCCCC)CC(O)CCCCCC
InChIInChI=1S/C23H48O/c1-4-7-10-13-14-16-19-22(18-15-11-8-5-2)21-23(24)20-17-12-9-6-3/h22-24H,4-21H2,1-3H3
InChIKeyFLTZAFGWUAWMAJ-UHFFFAOYSA-N
MW340.64 g/mol
LogP8.05
Rot. Bonds19

About 9-hexylheptadecan-7-ol

9-hexylheptadecan-7-ol (PubChem CID 19871685) has the molecular formula C23H48O and a molecular weight of 340.64 g/mol. Its IUPAC name is 9-hexylheptadecan-7-ol.

Molecular Properties

Compound Name9-hexylheptadecan-7-ol
PubChem CID19871685
Molecular FormulaC23H48O
Molecular Weight340.64 g/mol
Exact Mass340.37
IUPAC Name9-hexylheptadecan-7-ol
SMILESCCCCCCCCC(CCCCCC)CC(O)CCCCCC
InChIInChI=1S/C23H48O/c1-4-7-10-13-14-16-19-22(18-15-11-8-5-2)21-23(24)20-17-12-9-6-3/h22-24H,4-21H2,1-3H3
InChIKeyFLTZAFGWUAWMAJ-UHFFFAOYSA-N
XLogP8.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.64
LogP ≤ 58.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hexyldecane-1,4-diol
CID 54102250
(7S,9R)-tetratriacontane-7,9-diol
CID 165357894
hentriacontane-14,16-diol
CID 87514654
triacontane-6,8-diol
CID 85096450
(6S,8S)-heptacosane-6,8-diol
CID 10693038
2-ethyldecane-1,4-diol
CID 90936886
(5S,7R)-dodecane-5,7-diol
CID 12060471
(7R)-hexatriacontan-7-ol
CID 88529159
tetratetracontan-22-ol
CID 91434437
nonacosane-7,20-diol
CID 174949468
9-heptyl-11-octylnonadecane
CID 91326024
icosan-9-ol
CID 11983377

Frequently Asked Questions

What is the IUPAC name of 9-hexylheptadecan-7-ol?
The IUPAC name of 9-hexylheptadecan-7-ol (CID 19871685) is 9-hexylheptadecan-7-ol.
What is the SMILES notation for 9-hexylheptadecan-7-ol?
The canonical SMILES for 9-hexylheptadecan-7-ol is CCCCCCCCC(CCCCCC)CC(O)CCCCCC.
What is the InChIKey of 9-hexylheptadecan-7-ol?
The InChIKey is FLTZAFGWUAWMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O/c1-4-7-10-13-14-16-19-22(18-15-11-8-5-2)21-23(24)20-17-12-9-6-3/h22-24H,4-21H2,1-3H3.
What are the key properties of 9-hexylheptadecan-7-ol?
9-hexylheptadecan-7-ol has a molecular weight of 340.64 g/mol, XLogP of 8.05, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hexylheptadecan-7-ol is sourced from PubChem (CID 19871685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).