(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol

C17H30O — CID 5362831

IUPAC(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCCO
InChIInChI=1S/C17H30O/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-18/h9-10,13,18H,5-8,11-12,14H2,1-4H3/b16-10+,17-13+
InChIKeyXEFQCLXNSJBVNZ-QKXOVSGLSA-N
MW250.43 g/mol
LogP5.18
Rot. Bonds9

About (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol

(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol (PubChem CID 5362831) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol.

Molecular Properties

Compound Name(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
PubChem CID5362831
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCCO
InChIInChI=1S/C17H30O/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-18/h9-10,13,18H,5-8,11-12,14H2,1-4H3/b16-10+,17-13+
InChIKeyXEFQCLXNSJBVNZ-QKXOVSGLSA-N
XLogP5.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.18
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

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Frequently Asked Questions

What is the IUPAC name of (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol?
The IUPAC name of (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol (CID 5362831) is (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol.
What is the SMILES notation for (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol?
The canonical SMILES for (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol is CC(C)=CCC/C(C)=C/CC/C(C)=C/CCCO.
What is the InChIKey of (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol?
The InChIKey is XEFQCLXNSJBVNZ-QKXOVSGLSA-N. The full InChI is InChI=1S/C17H30O/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-18/h9-10,13,18H,5-8,11-12,14H2,1-4H3/b16-10+,17-13+.
What are the key properties of (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol?
(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol has a molecular weight of 250.43 g/mol, XLogP of 5.18, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol is sourced from PubChem (CID 5362831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).