(E)-6-butylpentadec-6-en-1-ol

C19H38O — CID 10265818

IUPAC(E)-6-butylpentadec-6-en-1-ol
SMILESCCCCCCCC/C=C(\CCCC)CCCCCO
InChIInChI=1S/C19H38O/c1-3-5-7-8-9-10-12-16-19(15-6-4-2)17-13-11-14-18-20/h16,20H,3-15,17-18H2,1-2H3/b19-16+
InChIKeyCBTHCCBFMKREFN-KNTRCKAVSA-N
MW282.51 g/mol
LogP6.41
Rot. Bonds15

About (E)-6-butylpentadec-6-en-1-ol

(E)-6-butylpentadec-6-en-1-ol (PubChem CID 10265818) has the molecular formula C19H38O and a molecular weight of 282.51 g/mol. Its IUPAC name is (E)-6-butylpentadec-6-en-1-ol.

Molecular Properties

Compound Name(E)-6-butylpentadec-6-en-1-ol
PubChem CID10265818
Molecular FormulaC19H38O
Molecular Weight282.51 g/mol
Exact Mass282.29
IUPAC Name(E)-6-butylpentadec-6-en-1-ol
SMILESCCCCCCCC/C=C(\CCCC)CCCCCO
InChIInChI=1S/C19H38O/c1-3-5-7-8-9-10-12-16-19(15-6-4-2)17-13-11-14-18-20/h16,20H,3-15,17-18H2,1-2H3/b19-16+
InChIKeyCBTHCCBFMKREFN-KNTRCKAVSA-N
XLogP6.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.51
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-pentylnon-2-en-1-ol
CID 87912407
5-butylicos-4-ene
CID 54084142
(E)-5-butyltridec-4-ene
CID 12531554
5-decylpentadecane-1,5-diol;5-decylpentadec-4-en-1-ol
CID 159449722
6-ethyltridec-6-ene
CID 123238287
5-ethyltetradec-5-ene
CID 54129215
(Z)-7-ethyltetradec-7-ene
CID 134978641
5-butyldec-5-ene
CID 15367252
13-oct-7-enyltriaconta-1,13-diene
CID 123204509
28-hexylpentaconta-1,28-diene
CID 90932256
(E)-11-(5-methylhexyl)henicos-10-ene
CID 155621794
(E)-12-bromo-6-butyldodec-5-ene
CID 10086325

Frequently Asked Questions

What is the IUPAC name of (E)-6-butylpentadec-6-en-1-ol?
The IUPAC name of (E)-6-butylpentadec-6-en-1-ol (CID 10265818) is (E)-6-butylpentadec-6-en-1-ol.
What is the SMILES notation for (E)-6-butylpentadec-6-en-1-ol?
The canonical SMILES for (E)-6-butylpentadec-6-en-1-ol is CCCCCCCC/C=C(\CCCC)CCCCCO.
What is the InChIKey of (E)-6-butylpentadec-6-en-1-ol?
The InChIKey is CBTHCCBFMKREFN-KNTRCKAVSA-N. The full InChI is InChI=1S/C19H38O/c1-3-5-7-8-9-10-12-16-19(15-6-4-2)17-13-11-14-18-20/h16,20H,3-15,17-18H2,1-2H3/b19-16+.
What are the key properties of (E)-6-butylpentadec-6-en-1-ol?
(E)-6-butylpentadec-6-en-1-ol has a molecular weight of 282.51 g/mol, XLogP of 6.41, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-butylpentadec-6-en-1-ol is sourced from PubChem (CID 10265818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).