(2E,4E)-2,7,10,11-tetramethyldodeca-2,4,10-trien-1-ol

C16H28O — CID 88841471

IUPAC(2E,4E)-2,7,10,11-tetramethyldodeca-2,4,10-trien-1-ol
SMILESCC(C)=C(C)CCC(C)C/C=C/C=C(\C)CO
InChIInChI=1S/C16H28O/c1-13(2)16(5)11-10-14(3)8-6-7-9-15(4)12-17/h6-7,9,14,17H,8,10-12H2,1-5H3/b7-6+,15-9+
InChIKeyOIZBZLHCKDMMGP-YSLZEPIFSA-N
MW236.40 g/mol
LogP4.64
Rot. Bonds7

About (2E,4E)-2,7,10,11-tetramethyldodeca-2,4,10-trien-1-ol

(2E,4E)-2,7,10,11-tetramethyldodeca-2,4,10-trien-1-ol (PubChem CID 88841471) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is (2E,4E)-2,7,10,11-tetramethyldodeca-2,4,10-trien-1-ol.

Molecular Properties

Compound Name(2E,4E)-2,7,10,11-tetramethyldodeca-2,4,10-trien-1-ol
PubChem CID88841471
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name(2E,4E)-2,7,10,11-tetramethyldodeca-2,4,10-trien-1-ol
SMILESCC(C)=C(C)CCC(C)C/C=C/C=C(\C)CO
InChIInChI=1S/C16H28O/c1-13(2)16(5)11-10-14(3)8-6-7-9-15(4)12-17/h6-7,9,14,17H,8,10-12H2,1-5H3/b7-6+,15-9+
InChIKeyOIZBZLHCKDMMGP-YSLZEPIFSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.64
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 (2E,4E)-2,7,10,11-tetramethyldodeca-2,4,10-trien-1-ol?
The IUPAC name of (2E,4E)-2,7,10,11-tetramethyldodeca-2,4,10-trien-1-ol (CID 88841471) is (2E,4E)-2,7,10,11-tetramethyldodeca-2,4,10-trien-1-ol.
What is the SMILES notation for (2E,4E)-2,7,10,11-tetramethyldodeca-2,4,10-trien-1-ol?
The canonical SMILES for (2E,4E)-2,7,10,11-tetramethyldodeca-2,4,10-trien-1-ol is CC(C)=C(C)CCC(C)C/C=C/C=C(\C)CO.
What is the InChIKey of (2E,4E)-2,7,10,11-tetramethyldodeca-2,4,10-trien-1-ol?
The InChIKey is OIZBZLHCKDMMGP-YSLZEPIFSA-N. The full InChI is InChI=1S/C16H28O/c1-13(2)16(5)11-10-14(3)8-6-7-9-15(4)12-17/h6-7,9,14,17H,8,10-12H2,1-5H3/b7-6+,15-9+.
What are the key properties of (2E,4E)-2,7,10,11-tetramethyldodeca-2,4,10-trien-1-ol?
(2E,4E)-2,7,10,11-tetramethyldodeca-2,4,10-trien-1-ol has a molecular weight of 236.40 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2,7,10,11-tetramethyldodeca-2,4,10-trien-1-ol is sourced from PubChem (CID 88841471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).