3,7,11-trimethylhexadeca-6,10-dien-3-ol

C19H36O — CID 72571502

IUPAC3,7,11-trimethylhexadeca-6,10-dien-3-ol
SMILESCCCCCC(C)=CCCC(C)=CCCC(C)(O)CC
InChIInChI=1S/C19H36O/c1-6-8-9-12-17(3)13-10-14-18(4)15-11-16-19(5,20)7-2/h13,15,20H,6-12,14,16H2,1-5H3
InChIKeyOTWCIUYMRHZWEY-UHFFFAOYSA-N
MW280.50 g/mol
LogP6.18
Rot. Bonds11

About 3,7,11-trimethylhexadeca-6,10-dien-3-ol

3,7,11-trimethylhexadeca-6,10-dien-3-ol (PubChem CID 72571502) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is 3,7,11-trimethylhexadeca-6,10-dien-3-ol.

Molecular Properties

Compound Name3,7,11-trimethylhexadeca-6,10-dien-3-ol
PubChem CID72571502
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name3,7,11-trimethylhexadeca-6,10-dien-3-ol
SMILESCCCCCC(C)=CCCC(C)=CCCC(C)(O)CC
InChIInChI=1S/C19H36O/c1-6-8-9-12-17(3)13-10-14-18(4)15-11-16-19(5,20)7-2/h13,15,20H,6-12,14,16H2,1-5H3
InChIKeyOTWCIUYMRHZWEY-UHFFFAOYSA-N
XLogP6.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 56.18
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)-2,6,10-trimethylpentadec-9-en-6-ol
CID 129151559
3,7,11-trimethylhexadeca-2,6,10-triene
CID 54031242
(2E)-3,7-dimethyldodeca-2,6-dien-1-ol
CID 141351623
(10-hydroxy-2,6,10-trimethyldodeca-2,6-dienyl) acetate
CID 173356213
6-methyldocos-6-ene
CID 629460
(E)-9-methylnonadec-9-ene
CID 14783585
7-methylhenicos-7-ene
CID 173033031
(E)-10-methylnonadec-9-ene
CID 5364653
7-methyloctadec-7-ene
CID 123477460
acetic acid;nonan-2-one;3,7,11-trimethyldodeca-1,6,10-trien-3-ol
CID 159991235
(E)-6-methylpentadec-5-ene;(E)-6-methylpentadec-6-ene
CID 54602757
4-methylnon-3-en-1-amine
CID 79593569

Frequently Asked Questions

What is the IUPAC name of 3,7,11-trimethylhexadeca-6,10-dien-3-ol?
The IUPAC name of 3,7,11-trimethylhexadeca-6,10-dien-3-ol (CID 72571502) is 3,7,11-trimethylhexadeca-6,10-dien-3-ol.
What is the SMILES notation for 3,7,11-trimethylhexadeca-6,10-dien-3-ol?
The canonical SMILES for 3,7,11-trimethylhexadeca-6,10-dien-3-ol is CCCCCC(C)=CCCC(C)=CCCC(C)(O)CC.
What is the InChIKey of 3,7,11-trimethylhexadeca-6,10-dien-3-ol?
The InChIKey is OTWCIUYMRHZWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O/c1-6-8-9-12-17(3)13-10-14-18(4)15-11-16-19(5,20)7-2/h13,15,20H,6-12,14,16H2,1-5H3.
What are the key properties of 3,7,11-trimethylhexadeca-6,10-dien-3-ol?
3,7,11-trimethylhexadeca-6,10-dien-3-ol has a molecular weight of 280.50 g/mol, XLogP of 6.18, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-trimethylhexadeca-6,10-dien-3-ol is sourced from PubChem (CID 72571502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).