(3S,4E,6E,8E,10S,12Z)-3,10-dimethylpentadeca-4,6,8,12-tetraen-1-ol

C17H28O — CID 170250035

IUPAC(3S,4E,6E,8E,10S,12Z)-3,10-dimethylpentadeca-4,6,8,12-tetraen-1-ol
SMILESCC/C=C\C[C@H](C)/C=C/C=C/C=C/[C@@H](C)CCO
InChIInChI=1S/C17H28O/c1-4-5-8-11-16(2)12-9-6-7-10-13-17(3)14-15-18/h5-10,12-13,16-18H,4,11,14-15H2,1-3H3/b7-6+,8-5-,12-9+,13-10+/t16-,17+/m0/s1
InChIKeyRPEPNXVWJGGTRS-YYRPMZFFSA-N
MW248.41 g/mol
LogP4.67
Rot. Bonds9

About (3S,4E,6E,8E,10S,12Z)-3,10-dimethylpentadeca-4,6,8,12-tetraen-1-ol

(3S,4E,6E,8E,10S,12Z)-3,10-dimethylpentadeca-4,6,8,12-tetraen-1-ol (PubChem CID 170250035) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is (3S,4E,6E,8E,10S,12Z)-3,10-dimethylpentadeca-4,6,8,12-tetraen-1-ol.

Molecular Properties

Compound Name(3S,4E,6E,8E,10S,12Z)-3,10-dimethylpentadeca-4,6,8,12-tetraen-1-ol
PubChem CID170250035
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name(3S,4E,6E,8E,10S,12Z)-3,10-dimethylpentadeca-4,6,8,12-tetraen-1-ol
SMILESCC/C=C\C[C@H](C)/C=C/C=C/C=C/[C@@H](C)CCO
InChIInChI=1S/C17H28O/c1-4-5-8-11-16(2)12-9-6-7-10-13-17(3)14-15-18/h5-10,12-13,16-18H,4,11,14-15H2,1-3H3/b7-6+,8-5-,12-9+,13-10+/t16-,17+/m0/s1
InChIKeyRPEPNXVWJGGTRS-YYRPMZFFSA-N
XLogP4.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.67
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'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4E,6E,8E,10S,12Z)-3,10-dimethylpentadeca-4,6,8,12-tetraen-1-ol?
The IUPAC name of (3S,4E,6E,8E,10S,12Z)-3,10-dimethylpentadeca-4,6,8,12-tetraen-1-ol (CID 170250035) is (3S,4E,6E,8E,10S,12Z)-3,10-dimethylpentadeca-4,6,8,12-tetraen-1-ol.
What is the SMILES notation for (3S,4E,6E,8E,10S,12Z)-3,10-dimethylpentadeca-4,6,8,12-tetraen-1-ol?
The canonical SMILES for (3S,4E,6E,8E,10S,12Z)-3,10-dimethylpentadeca-4,6,8,12-tetraen-1-ol is CC/C=C\C[C@H](C)/C=C/C=C/C=C/[C@@H](C)CCO.
What is the InChIKey of (3S,4E,6E,8E,10S,12Z)-3,10-dimethylpentadeca-4,6,8,12-tetraen-1-ol?
The InChIKey is RPEPNXVWJGGTRS-YYRPMZFFSA-N. The full InChI is InChI=1S/C17H28O/c1-4-5-8-11-16(2)12-9-6-7-10-13-17(3)14-15-18/h5-10,12-13,16-18H,4,11,14-15H2,1-3H3/b7-6+,8-5-,12-9+,13-10+/t16-,17+/m0/s1.
What are the key properties of (3S,4E,6E,8E,10S,12Z)-3,10-dimethylpentadeca-4,6,8,12-tetraen-1-ol?
(3S,4E,6E,8E,10S,12Z)-3,10-dimethylpentadeca-4,6,8,12-tetraen-1-ol has a molecular weight of 248.41 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4E,6E,8E,10S,12Z)-3,10-dimethylpentadeca-4,6,8,12-tetraen-1-ol is sourced from PubChem (CID 170250035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).