(6E,11E)-3,7,13-trimethyltetradeca-1,6,11,13-tetraen-3-ol

C17H28O — CID 5352449

IUPAC(6E,11E)-3,7,13-trimethyltetradeca-1,6,11,13-tetraen-3-ol
SMILESC=CC(C)(O)CC/C=C(\C)CCC/C=C/C(=C)C
InChIInChI=1S/C17H28O/c1-6-17(5,18)14-10-13-16(4)12-9-7-8-11-15(2)3/h6,8,11,13,18H,1-2,7,9-10,12,14H2,3-5H3/b11-8+,16-13+
InChIKeyXCTSDLUOCRRDLZ-YZLWMTBJSA-N
MW248.41 g/mol
LogP4.95
Rot. Bonds9

About (6E,11E)-3,7,13-trimethyltetradeca-1,6,11,13-tetraen-3-ol

(6E,11E)-3,7,13-trimethyltetradeca-1,6,11,13-tetraen-3-ol (PubChem CID 5352449) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is (6E,11E)-3,7,13-trimethyltetradeca-1,6,11,13-tetraen-3-ol.

Molecular Properties

Compound Name(6E,11E)-3,7,13-trimethyltetradeca-1,6,11,13-tetraen-3-ol
PubChem CID5352449
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name(6E,11E)-3,7,13-trimethyltetradeca-1,6,11,13-tetraen-3-ol
SMILESC=CC(C)(O)CC/C=C(\C)CCC/C=C/C(=C)C
InChIInChI=1S/C17H28O/c1-6-17(5,18)14-10-13-16(4)12-9-7-8-11-15(2)3/h6,8,11,13,18H,1-2,7,9-10,12,14H2,3-5H3/b11-8+,16-13+
InChIKeyXCTSDLUOCRRDLZ-YZLWMTBJSA-N
XLogP4.95
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 ≤ 54.95
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E,11E)-3,7,13-trimethyltetradeca-1,6,11,13-tetraen-3-ol?
The IUPAC name of (6E,11E)-3,7,13-trimethyltetradeca-1,6,11,13-tetraen-3-ol (CID 5352449) is (6E,11E)-3,7,13-trimethyltetradeca-1,6,11,13-tetraen-3-ol.
What is the SMILES notation for (6E,11E)-3,7,13-trimethyltetradeca-1,6,11,13-tetraen-3-ol?
The canonical SMILES for (6E,11E)-3,7,13-trimethyltetradeca-1,6,11,13-tetraen-3-ol is C=CC(C)(O)CC/C=C(\C)CCC/C=C/C(=C)C.
What is the InChIKey of (6E,11E)-3,7,13-trimethyltetradeca-1,6,11,13-tetraen-3-ol?
The InChIKey is XCTSDLUOCRRDLZ-YZLWMTBJSA-N. The full InChI is InChI=1S/C17H28O/c1-6-17(5,18)14-10-13-16(4)12-9-7-8-11-15(2)3/h6,8,11,13,18H,1-2,7,9-10,12,14H2,3-5H3/b11-8+,16-13+.
What are the key properties of (6E,11E)-3,7,13-trimethyltetradeca-1,6,11,13-tetraen-3-ol?
(6E,11E)-3,7,13-trimethyltetradeca-1,6,11,13-tetraen-3-ol has a molecular weight of 248.41 g/mol, XLogP of 4.95, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,11E)-3,7,13-trimethyltetradeca-1,6,11,13-tetraen-3-ol is sourced from PubChem (CID 5352449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).