(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol

C20H40O — CID 5280435

IUPAC(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol
SMILESC/C(=C\CO)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1
InChIKeyBOTWFXYSPFMFNR-PYDDKJGSSA-N
MW296.54 g/mol
LogP6.36
Rot. Bonds13

About (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol

(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol (PubChem CID 5280435) has the molecular formula C20H40O and a molecular weight of 296.54 g/mol. Its IUPAC name is (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol.

Molecular Properties

Compound Name(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol
PubChem CID5280435
Molecular FormulaC20H40O
Molecular Weight296.54 g/mol
Exact Mass296.31
IUPAC Name(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol
SMILESC/C(=C\CO)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1
InChIKeyBOTWFXYSPFMFNR-PYDDKJGSSA-N
XLogP6.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol?
The IUPAC name of (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol (CID 5280435) is (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol.
What is the SMILES notation for (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol?
The canonical SMILES for (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol is C/C(=C\CO)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.
What is the InChIKey of (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol?
The InChIKey is BOTWFXYSPFMFNR-PYDDKJGSSA-N. The full InChI is InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1.
What are the key properties of (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol?
(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol has a molecular weight of 296.54 g/mol, XLogP of 6.36, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol is sourced from PubChem (CID 5280435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).