6-ethyloctadecan-7-ol

C20H42O — CID 22321194

IUPAC6-ethyloctadecan-7-ol
SMILESCCCCCCCCCCCC(O)C(CC)CCCCC
InChIInChI=1S/C20H42O/c1-4-7-9-10-11-12-13-14-16-18-20(21)19(6-3)17-15-8-5-2/h19-21H,4-18H2,1-3H3
InChIKeyHUEWVVLAWVXECZ-UHFFFAOYSA-N
MW298.56 g/mol
LogP6.87
Rot. Bonds16

About 6-ethyloctadecan-7-ol

6-ethyloctadecan-7-ol (PubChem CID 22321194) has the molecular formula C20H42O and a molecular weight of 298.56 g/mol. Its IUPAC name is 6-ethyloctadecan-7-ol.

Molecular Properties

Compound Name6-ethyloctadecan-7-ol
PubChem CID22321194
Molecular FormulaC20H42O
Molecular Weight298.56 g/mol
Exact Mass298.32
IUPAC Name6-ethyloctadecan-7-ol
SMILESCCCCCCCCCCCC(O)C(CC)CCCCC
InChIInChI=1S/C20H42O/c1-4-7-9-10-11-12-13-14-16-18-20(21)19(6-3)17-15-8-5-2/h19-21H,4-18H2,1-3H3
InChIKeyHUEWVVLAWVXECZ-UHFFFAOYSA-N
XLogP6.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.56
LogP ≤ 56.87
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

7-ethylpentadecan-8-ol
CID 91407819
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 6-ethyloctadecan-7-ol?
The IUPAC name of 6-ethyloctadecan-7-ol (CID 22321194) is 6-ethyloctadecan-7-ol.
What is the SMILES notation for 6-ethyloctadecan-7-ol?
The canonical SMILES for 6-ethyloctadecan-7-ol is CCCCCCCCCCCC(O)C(CC)CCCCC.
What is the InChIKey of 6-ethyloctadecan-7-ol?
The InChIKey is HUEWVVLAWVXECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O/c1-4-7-9-10-11-12-13-14-16-18-20(21)19(6-3)17-15-8-5-2/h19-21H,4-18H2,1-3H3.
What are the key properties of 6-ethyloctadecan-7-ol?
6-ethyloctadecan-7-ol has a molecular weight of 298.56 g/mol, XLogP of 6.87, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyloctadecan-7-ol is sourced from PubChem (CID 22321194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).