(1E,3E,6S,8S,10S)-4,6,8,10-tetramethyltrideca-1,3-dien-1-ol

C17H32O — CID 146673582

IUPAC(1E,3E,6S,8S,10S)-4,6,8,10-tetramethyltrideca-1,3-dien-1-ol
SMILESCCC[C@H](C)C[C@H](C)C[C@H](C)C/C(C)=C/C=C/O
InChIInChI=1S/C17H32O/c1-6-8-14(2)11-16(4)13-17(5)12-15(3)9-7-10-18/h7,9-10,14,16-18H,6,8,11-13H2,1-5H3/b10-7+,15-9+/t14-,16-,17+/m0/s1
InChIKeyWPHMRJPPZFHFJT-LSCUAGKGSA-N
MW252.44 g/mol
LogP5.88
Rot. Bonds9

About (1E,3E,6S,8S,10S)-4,6,8,10-tetramethyltrideca-1,3-dien-1-ol

(1E,3E,6S,8S,10S)-4,6,8,10-tetramethyltrideca-1,3-dien-1-ol (PubChem CID 146673582) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is (1E,3E,6S,8S,10S)-4,6,8,10-tetramethyltrideca-1,3-dien-1-ol.

Molecular Properties

Compound Name(1E,3E,6S,8S,10S)-4,6,8,10-tetramethyltrideca-1,3-dien-1-ol
PubChem CID146673582
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name(1E,3E,6S,8S,10S)-4,6,8,10-tetramethyltrideca-1,3-dien-1-ol
SMILESCCC[C@H](C)C[C@H](C)C[C@H](C)C/C(C)=C/C=C/O
InChIInChI=1S/C17H32O/c1-6-8-14(2)11-16(4)13-17(5)12-15(3)9-7-10-18/h7,9-10,14,16-18H,6,8,11-13H2,1-5H3/b10-7+,15-9+/t14-,16-,17+/m0/s1
InChIKeyWPHMRJPPZFHFJT-LSCUAGKGSA-N
XLogP5.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,3E,6S,8S,10S)-4,6,8,10-tetramethyltrideca-1,3-dien-1-ol?
The IUPAC name of (1E,3E,6S,8S,10S)-4,6,8,10-tetramethyltrideca-1,3-dien-1-ol (CID 146673582) is (1E,3E,6S,8S,10S)-4,6,8,10-tetramethyltrideca-1,3-dien-1-ol.
What is the SMILES notation for (1E,3E,6S,8S,10S)-4,6,8,10-tetramethyltrideca-1,3-dien-1-ol?
The canonical SMILES for (1E,3E,6S,8S,10S)-4,6,8,10-tetramethyltrideca-1,3-dien-1-ol is CCC[C@H](C)C[C@H](C)C[C@H](C)C/C(C)=C/C=C/O.
What is the InChIKey of (1E,3E,6S,8S,10S)-4,6,8,10-tetramethyltrideca-1,3-dien-1-ol?
The InChIKey is WPHMRJPPZFHFJT-LSCUAGKGSA-N. The full InChI is InChI=1S/C17H32O/c1-6-8-14(2)11-16(4)13-17(5)12-15(3)9-7-10-18/h7,9-10,14,16-18H,6,8,11-13H2,1-5H3/b10-7+,15-9+/t14-,16-,17+/m0/s1.
What are the key properties of (1E,3E,6S,8S,10S)-4,6,8,10-tetramethyltrideca-1,3-dien-1-ol?
(1E,3E,6S,8S,10S)-4,6,8,10-tetramethyltrideca-1,3-dien-1-ol has a molecular weight of 252.44 g/mol, XLogP of 5.88, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,6S,8S,10S)-4,6,8,10-tetramethyltrideca-1,3-dien-1-ol is sourced from PubChem (CID 146673582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).