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

C20H40O — CID 10979377

IUPAC(7R,11R)-3,7,11,15-tetramethylhexadec-1-en-3-ol
SMILESC=CC(C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C20H40O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,17-19,21H,1,8-16H2,2-6H3/t18-,19-,20?/m1/s1
InChIKeyKEVYVLWNCKMXJX-LEAGNCFPSA-N
MW296.54 g/mol
LogP6.36
Rot. Bonds13

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

(7R,11R)-3,7,11,15-tetramethylhexadec-1-en-3-ol (PubChem CID 10979377) has the molecular formula C20H40O and a molecular weight of 296.54 g/mol. Its IUPAC name is (7R,11R)-3,7,11,15-tetramethylhexadec-1-en-3-ol.

Molecular Properties

Compound Name(7R,11R)-3,7,11,15-tetramethylhexadec-1-en-3-ol
PubChem CID10979377
Molecular FormulaC20H40O
Molecular Weight296.54 g/mol
Exact Mass296.31
IUPAC Name(7R,11R)-3,7,11,15-tetramethylhexadec-1-en-3-ol
SMILESC=CC(C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C20H40O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,17-19,21H,1,8-16H2,2-6H3/t18-,19-,20?/m1/s1
InChIKeyKEVYVLWNCKMXJX-LEAGNCFPSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (7R,11R)-3,7,11,15-tetramethylhexadec-1-en-3-ol?
The IUPAC name of (7R,11R)-3,7,11,15-tetramethylhexadec-1-en-3-ol (CID 10979377) is (7R,11R)-3,7,11,15-tetramethylhexadec-1-en-3-ol.
What is the SMILES notation for (7R,11R)-3,7,11,15-tetramethylhexadec-1-en-3-ol?
The canonical SMILES for (7R,11R)-3,7,11,15-tetramethylhexadec-1-en-3-ol is C=CC(C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.
What is the InChIKey of (7R,11R)-3,7,11,15-tetramethylhexadec-1-en-3-ol?
The InChIKey is KEVYVLWNCKMXJX-LEAGNCFPSA-N. The full InChI is InChI=1S/C20H40O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,17-19,21H,1,8-16H2,2-6H3/t18-,19-,20?/m1/s1.
What are the key properties of (7R,11R)-3,7,11,15-tetramethylhexadec-1-en-3-ol?
(7R,11R)-3,7,11,15-tetramethylhexadec-1-en-3-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 (7R,11R)-3,7,11,15-tetramethylhexadec-1-en-3-ol is sourced from PubChem (CID 10979377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).