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

C20H40O — CID 42433480

IUPAC(3R,7R,11S)-3,7,11,15-tetramethylhexadec-1-en-3-ol
SMILESC=C[C@](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-/m0/s1
InChIKeyKEVYVLWNCKMXJX-ZCNNSNEGSA-N
MW296.54 g/mol
LogP6.36
Rot. Bonds13

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

(3R,7R,11S)-3,7,11,15-tetramethylhexadec-1-en-3-ol (PubChem CID 42433480) has the molecular formula C20H40O and a molecular weight of 296.54 g/mol. Its IUPAC name is (3R,7R,11S)-3,7,11,15-tetramethylhexadec-1-en-3-ol.

Molecular Properties

Compound Name(3R,7R,11S)-3,7,11,15-tetramethylhexadec-1-en-3-ol
PubChem CID42433480
Molecular FormulaC20H40O
Molecular Weight296.54 g/mol
Exact Mass296.31
IUPAC Name(3R,7R,11S)-3,7,11,15-tetramethylhexadec-1-en-3-ol
SMILESC=C[C@](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-/m0/s1
InChIKeyKEVYVLWNCKMXJX-ZCNNSNEGSA-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 (3R,7R,11S)-3,7,11,15-tetramethylhexadec-1-en-3-ol?
The IUPAC name of (3R,7R,11S)-3,7,11,15-tetramethylhexadec-1-en-3-ol (CID 42433480) is (3R,7R,11S)-3,7,11,15-tetramethylhexadec-1-en-3-ol.
What is the SMILES notation for (3R,7R,11S)-3,7,11,15-tetramethylhexadec-1-en-3-ol?
The canonical SMILES for (3R,7R,11S)-3,7,11,15-tetramethylhexadec-1-en-3-ol is C=C[C@](C)(O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C.
What is the InChIKey of (3R,7R,11S)-3,7,11,15-tetramethylhexadec-1-en-3-ol?
The InChIKey is KEVYVLWNCKMXJX-ZCNNSNEGSA-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-/m0/s1.
What are the key properties of (3R,7R,11S)-3,7,11,15-tetramethylhexadec-1-en-3-ol?
(3R,7R,11S)-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 (3R,7R,11S)-3,7,11,15-tetramethylhexadec-1-en-3-ol is sourced from PubChem (CID 42433480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).