(5E,7E)-4,8,12-trimethyltrideca-5,7,11-trien-1-yn-4-ol

C16H24O — CID 20732946

IUPAC(5E,7E)-4,8,12-trimethyltrideca-5,7,11-trien-1-yn-4-ol
SMILESC#CCC(C)(O)/C=C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C16H24O/c1-6-12-16(5,17)13-8-11-15(4)10-7-9-14(2)3/h1,8-9,11,13,17H,7,10,12H2,2-5H3/b13-8+,15-11+
InChIKeyHTGHKLDVJVAVMI-ZSDFXZAOSA-N
MW232.37 g/mol
LogP4.01
Rot. Bonds6

About (5E,7E)-4,8,12-trimethyltrideca-5,7,11-trien-1-yn-4-ol

(5E,7E)-4,8,12-trimethyltrideca-5,7,11-trien-1-yn-4-ol (PubChem CID 20732946) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is (5E,7E)-4,8,12-trimethyltrideca-5,7,11-trien-1-yn-4-ol.

Molecular Properties

Compound Name(5E,7E)-4,8,12-trimethyltrideca-5,7,11-trien-1-yn-4-ol
PubChem CID20732946
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name(5E,7E)-4,8,12-trimethyltrideca-5,7,11-trien-1-yn-4-ol
SMILESC#CCC(C)(O)/C=C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C16H24O/c1-6-12-16(5,17)13-8-11-15(4)10-7-9-14(2)3/h1,8-9,11,13,17H,7,10,12H2,2-5H3/b13-8+,15-11+
InChIKeyHTGHKLDVJVAVMI-ZSDFXZAOSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

acetylene;(3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one;(4E,6E)-3,7,11-trimethyldodeca-4,6,10-trien-1-yn-3-ol
CID 158821892
(3Z,5E)-1,1,1-trifluoro-2,6,10-trimethylundeca-3,5,9-trien-2-ol
CID 177425509
(6E)-3,7,11-trimethyl(1,2-13C2)dodeca-6,10-dien-1-yn-3-ol
CID 165353227
10,10-di(butan-2-yloxy)-2,6-dimethylundeca-2,6,8-triene
CID 144649738
(4E,6E)-1-diethoxyphosphoryl-3,7,11-trimethyldodeca-1,2,4,6,10-pentaene;(4E,6E)-3,7,11-trimethyldodeca-4,6,10-trien-1-yn-3-ol
CID 159188188
[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-di(propan-2-yl)phosphane
CID 50905460
(3Z)-4,8-dimethylnona-3,7-diene-2,2-diol
CID 87392782
2,6,10,14,18,23,27,31,35-nonamethylhexatriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28,30,34-pentadecaene
CID 123174328
(6E,8E,10Z,12E,14Z,16E,18Z,20E,22Z,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
CID 21145326
(4Z)-2,5,9-trimethyldeca-4,8-dien-2-ol
CID 24976055
(3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene
CID 6443227
3,7-dimethylocta-2,6-dienal
CID 8843

Frequently Asked Questions

What is the IUPAC name of (5E,7E)-4,8,12-trimethyltrideca-5,7,11-trien-1-yn-4-ol?
The IUPAC name of (5E,7E)-4,8,12-trimethyltrideca-5,7,11-trien-1-yn-4-ol (CID 20732946) is (5E,7E)-4,8,12-trimethyltrideca-5,7,11-trien-1-yn-4-ol.
What is the SMILES notation for (5E,7E)-4,8,12-trimethyltrideca-5,7,11-trien-1-yn-4-ol?
The canonical SMILES for (5E,7E)-4,8,12-trimethyltrideca-5,7,11-trien-1-yn-4-ol is C#CCC(C)(O)/C=C/C=C(\C)CCC=C(C)C.
What is the InChIKey of (5E,7E)-4,8,12-trimethyltrideca-5,7,11-trien-1-yn-4-ol?
The InChIKey is HTGHKLDVJVAVMI-ZSDFXZAOSA-N. The full InChI is InChI=1S/C16H24O/c1-6-12-16(5,17)13-8-11-15(4)10-7-9-14(2)3/h1,8-9,11,13,17H,7,10,12H2,2-5H3/b13-8+,15-11+.
What are the key properties of (5E,7E)-4,8,12-trimethyltrideca-5,7,11-trien-1-yn-4-ol?
(5E,7E)-4,8,12-trimethyltrideca-5,7,11-trien-1-yn-4-ol has a molecular weight of 232.37 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E)-4,8,12-trimethyltrideca-5,7,11-trien-1-yn-4-ol is sourced from PubChem (CID 20732946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).