4-hexyldodecan-1-ol

C18H38O — CID 23212981

IUPAC4-hexyldodecan-1-ol
SMILESCCCCCCCCC(CCCO)CCCCCC
InChIInChI=1S/C18H38O/c1-3-5-7-9-10-12-15-18(16-13-17-19)14-11-8-6-4-2/h18-19H,3-17H2,1-2H3
InChIKeyKMCGMOZWGYONNO-UHFFFAOYSA-N
MW270.50 g/mol
LogP6.10
Rot. Bonds15

About 4-hexyldodecan-1-ol

4-hexyldodecan-1-ol (PubChem CID 23212981) has the molecular formula C18H38O and a molecular weight of 270.50 g/mol. Its IUPAC name is 4-hexyldodecan-1-ol.

Molecular Properties

Compound Name4-hexyldodecan-1-ol
PubChem CID23212981
Molecular FormulaC18H38O
Molecular Weight270.50 g/mol
Exact Mass270.29
IUPAC Name4-hexyldodecan-1-ol
SMILESCCCCCCCCC(CCCO)CCCCCC
InChIInChI=1S/C18H38O/c1-3-5-7-9-10-12-15-18(16-13-17-19)14-11-8-6-4-2/h18-19H,3-17H2,1-2H3
InChIKeyKMCGMOZWGYONNO-UHFFFAOYSA-N
XLogP6.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.50
LogP ≤ 56.10
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

4-heptadecylheptane-1,7-diol
CID 54374368
5-decylheptadecan-1-ol
CID 171774120
11-octylicosan-1-ol
CID 162349984
4-ethyltridecan-1-ol
CID 20550506
4-ethyldecan-1-ol
CID 91002231
3-octyldodecane-1,12-diol
CID 141481121
3-octyltridecan-1-ol
CID 13109029
3-pentylundecan-1-ol
CID 118576679
3-butyldodecan-1-ol
CID 118576685
3-butylundecan-1-ol
CID 13109026
20,26-di(heptadecyl)pentatetracontane
CID 102213068
7-pentylpentacosane
CID 91214353

Frequently Asked Questions

What is the IUPAC name of 4-hexyldodecan-1-ol?
The IUPAC name of 4-hexyldodecan-1-ol (CID 23212981) is 4-hexyldodecan-1-ol.
What is the SMILES notation for 4-hexyldodecan-1-ol?
The canonical SMILES for 4-hexyldodecan-1-ol is CCCCCCCCC(CCCO)CCCCCC.
What is the InChIKey of 4-hexyldodecan-1-ol?
The InChIKey is KMCGMOZWGYONNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O/c1-3-5-7-9-10-12-15-18(16-13-17-19)14-11-8-6-4-2/h18-19H,3-17H2,1-2H3.
What are the key properties of 4-hexyldodecan-1-ol?
4-hexyldodecan-1-ol has a molecular weight of 270.50 g/mol, XLogP of 6.10, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyldodecan-1-ol is sourced from PubChem (CID 23212981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).