(8E)-9,13-dimethyltetradeca-8,12-dien-6-ol

C16H30O — CID 15717608

IUPAC(8E)-9,13-dimethyltetradeca-8,12-dien-6-ol
SMILESCCCCCC(O)C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C16H30O/c1-5-6-7-11-16(17)13-12-15(4)10-8-9-14(2)3/h9,12,16-17H,5-8,10-11,13H2,1-4H3/b15-12+
InChIKeyVJHAWRBOBAXUQD-NTCAYCPXSA-N
MW238.41 g/mol
LogP5.01
Rot. Bonds9

About (8E)-9,13-dimethyltetradeca-8,12-dien-6-ol

(8E)-9,13-dimethyltetradeca-8,12-dien-6-ol (PubChem CID 15717608) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is (8E)-9,13-dimethyltetradeca-8,12-dien-6-ol.

Molecular Properties

Compound Name(8E)-9,13-dimethyltetradeca-8,12-dien-6-ol
PubChem CID15717608
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name(8E)-9,13-dimethyltetradeca-8,12-dien-6-ol
SMILESCCCCCC(O)C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C16H30O/c1-5-6-7-11-16(17)13-12-15(4)10-8-9-14(2)3/h9,12,16-17H,5-8,10-11,13H2,1-4H3/b15-12+
InChIKeyVJHAWRBOBAXUQD-NTCAYCPXSA-N
XLogP5.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.01
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

2,6-dimethyltetradeca-2,6-diene
CID 57189781
[(Z,6S)-6-hydroxy-3-methylhenicos-3-enyl] acetate
CID 162998768
(2E)-1-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]nonoxy]-3,7-dimethylocta-2,6-diene
CID 6437124
(E)-5-hydroxy-2-methyldec-2-enal
CID 87291784
(6E)-8-methoxy-2,6-dimethyldocosa-2,6-diene
CID 176571098
(14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol
CID 88794076
(7R,8S)-2-methyloctadec-2-ene-7,8-diol
CID 13420628
(6E,10E,14E)-2,6,10,14,17-pentamethyloctadeca-2,6,10,14-tetraene
CID 140685405
[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl] tridecanoate
CID 174419764
(5E)-6,10-dimethylundeca-5,9-dien-3-amine
CID 170888547
7-methyl-3-pentyloct-6-enal
CID 21430179
5-hydroxy-2-methyltridec-2-enoic acid
CID 123675074

Frequently Asked Questions

What is the IUPAC name of (8E)-9,13-dimethyltetradeca-8,12-dien-6-ol?
The IUPAC name of (8E)-9,13-dimethyltetradeca-8,12-dien-6-ol (CID 15717608) is (8E)-9,13-dimethyltetradeca-8,12-dien-6-ol.
What is the SMILES notation for (8E)-9,13-dimethyltetradeca-8,12-dien-6-ol?
The canonical SMILES for (8E)-9,13-dimethyltetradeca-8,12-dien-6-ol is CCCCCC(O)C/C=C(\C)CCC=C(C)C.
What is the InChIKey of (8E)-9,13-dimethyltetradeca-8,12-dien-6-ol?
The InChIKey is VJHAWRBOBAXUQD-NTCAYCPXSA-N. The full InChI is InChI=1S/C16H30O/c1-5-6-7-11-16(17)13-12-15(4)10-8-9-14(2)3/h9,12,16-17H,5-8,10-11,13H2,1-4H3/b15-12+.
What are the key properties of (8E)-9,13-dimethyltetradeca-8,12-dien-6-ol?
(8E)-9,13-dimethyltetradeca-8,12-dien-6-ol has a molecular weight of 238.41 g/mol, XLogP of 5.01, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-9,13-dimethyltetradeca-8,12-dien-6-ol is sourced from PubChem (CID 15717608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).