(6E)-3,7,11-trimethyldodeca-6,10-dien-3-ol

C15H28O — CID 5366010

IUPAC(6E)-3,7,11-trimethyldodeca-6,10-dien-3-ol
SMILESCCC(C)(O)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H28O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h9,11,16H,6-8,10,12H2,1-5H3/b14-11+
InChIKeyNVBDKNOCHDZQJO-SDNWHVSQSA-N
MW224.39 g/mol
LogP4.62
Rot. Bonds7

About (6E)-3,7,11-trimethyldodeca-6,10-dien-3-ol

(6E)-3,7,11-trimethyldodeca-6,10-dien-3-ol (PubChem CID 5366010) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is (6E)-3,7,11-trimethyldodeca-6,10-dien-3-ol.

Molecular Properties

Compound Name(6E)-3,7,11-trimethyldodeca-6,10-dien-3-ol
PubChem CID5366010
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name(6E)-3,7,11-trimethyldodeca-6,10-dien-3-ol
SMILESCCC(C)(O)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H28O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h9,11,16H,6-8,10,12H2,1-5H3/b14-11+
InChIKeyNVBDKNOCHDZQJO-SDNWHVSQSA-N
XLogP4.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E)-3,7,11-trimethyldodeca-6,10-dien-3-ol?
The IUPAC name of (6E)-3,7,11-trimethyldodeca-6,10-dien-3-ol (CID 5366010) is (6E)-3,7,11-trimethyldodeca-6,10-dien-3-ol.
What is the SMILES notation for (6E)-3,7,11-trimethyldodeca-6,10-dien-3-ol?
The canonical SMILES for (6E)-3,7,11-trimethyldodeca-6,10-dien-3-ol is CCC(C)(O)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (6E)-3,7,11-trimethyldodeca-6,10-dien-3-ol?
The InChIKey is NVBDKNOCHDZQJO-SDNWHVSQSA-N. The full InChI is InChI=1S/C15H28O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h9,11,16H,6-8,10,12H2,1-5H3/b14-11+.
What are the key properties of (6E)-3,7,11-trimethyldodeca-6,10-dien-3-ol?
(6E)-3,7,11-trimethyldodeca-6,10-dien-3-ol has a molecular weight of 224.39 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-3,7,11-trimethyldodeca-6,10-dien-3-ol is sourced from PubChem (CID 5366010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).