7-ethylpentadecan-8-ol

C17H36O — CID 91407819

IUPAC7-ethylpentadecan-8-ol
SMILESCCCCCCCC(O)C(CC)CCCCCC
InChIInChI=1S/C17H36O/c1-4-7-9-11-13-15-17(18)16(6-3)14-12-10-8-5-2/h16-18H,4-15H2,1-3H3
InChIKeyXREYQNJINGGOSW-UHFFFAOYSA-N
MW256.47 g/mol
LogP5.70
Rot. Bonds13

About 7-ethylpentadecan-8-ol

7-ethylpentadecan-8-ol (PubChem CID 91407819) has the molecular formula C17H36O and a molecular weight of 256.47 g/mol. Its IUPAC name is 7-ethylpentadecan-8-ol.

Molecular Properties

Compound Name7-ethylpentadecan-8-ol
PubChem CID91407819
Molecular FormulaC17H36O
Molecular Weight256.47 g/mol
Exact Mass256.28
IUPAC Name7-ethylpentadecan-8-ol
SMILESCCCCCCCC(O)C(CC)CCCCCC
InChIInChI=1S/C17H36O/c1-4-7-9-11-13-15-17(18)16(6-3)14-12-10-8-5-2/h16-18H,4-15H2,1-3H3
InChIKeyXREYQNJINGGOSW-UHFFFAOYSA-N
XLogP5.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.47
LogP ≤ 55.70
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

6-ethyloctadecan-7-ol
CID 22321194
4-ethylnonadecane-1,3-diol
CID 57082750
4-ethylnonan-3-ol
CID 135150430
5-butylundecan-6-ol
CID 89253058
5-ethylpentadecane-6,7-diol
CID 123906465
5-ethyltetradecane-6,7-diol
CID 22726226
2-ethyltetradecane-1,1-diol
CID 123855382
11-octadecylicosane-1,10,20-triol
CID 174674177
nonacosane-14,15-diol
CID 91509633
9,10-diethyloctadecane
CID 530164
7-ethyl-2-methylundecan-6-ol
CID 115829942
7-[(2-hexyl-3-hydroxyoctoxy)methyl]tridecan-6-ol
CID 88834941

Frequently Asked Questions

What is the IUPAC name of 7-ethylpentadecan-8-ol?
The IUPAC name of 7-ethylpentadecan-8-ol (CID 91407819) is 7-ethylpentadecan-8-ol.
What is the SMILES notation for 7-ethylpentadecan-8-ol?
The canonical SMILES for 7-ethylpentadecan-8-ol is CCCCCCCC(O)C(CC)CCCCCC.
What is the InChIKey of 7-ethylpentadecan-8-ol?
The InChIKey is XREYQNJINGGOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O/c1-4-7-9-11-13-15-17(18)16(6-3)14-12-10-8-5-2/h16-18H,4-15H2,1-3H3.
What are the key properties of 7-ethylpentadecan-8-ol?
7-ethylpentadecan-8-ol has a molecular weight of 256.47 g/mol, XLogP of 5.70, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylpentadecan-8-ol is sourced from PubChem (CID 91407819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).