(6R)-2,6-dimethyloctadeca-2,17-dien-8-ol

C20H38O — CID 10780182

IUPAC(6R)-2,6-dimethyloctadeca-2,17-dien-8-ol
SMILESC=CCCCCCCCCC(O)C[C@H](C)CCC=C(C)C
InChIInChI=1S/C20H38O/c1-5-6-7-8-9-10-11-12-16-20(21)17-19(4)15-13-14-18(2)3/h5,14,19-21H,1,6-13,15-17H2,2-4H3/t19-,20?/m1/s1
InChIKeyFFXBEYHEWILWRK-FIWHBWSRSA-N
MW294.52 g/mol
LogP6.43
Rot. Bonds14

About (6R)-2,6-dimethyloctadeca-2,17-dien-8-ol

(6R)-2,6-dimethyloctadeca-2,17-dien-8-ol (PubChem CID 10780182) has the molecular formula C20H38O and a molecular weight of 294.52 g/mol. Its IUPAC name is (6R)-2,6-dimethyloctadeca-2,17-dien-8-ol.

Molecular Properties

Compound Name(6R)-2,6-dimethyloctadeca-2,17-dien-8-ol
PubChem CID10780182
Molecular FormulaC20H38O
Molecular Weight294.52 g/mol
Exact Mass294.29
IUPAC Name(6R)-2,6-dimethyloctadeca-2,17-dien-8-ol
SMILESC=CCCCCCCCCC(O)C[C@H](C)CCC=C(C)C
InChIInChI=1S/C20H38O/c1-5-6-7-8-9-10-11-12-16-20(21)17-19(4)15-13-14-18(2)3/h5,14,19-21H,1,6-13,15-17H2,2-4H3/t19-,20?/m1/s1
InChIKeyFFXBEYHEWILWRK-FIWHBWSRSA-N
XLogP6.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.52
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R)-2,6-dimethyloctadeca-2,17-dien-8-ol?
The IUPAC name of (6R)-2,6-dimethyloctadeca-2,17-dien-8-ol (CID 10780182) is (6R)-2,6-dimethyloctadeca-2,17-dien-8-ol.
What is the SMILES notation for (6R)-2,6-dimethyloctadeca-2,17-dien-8-ol?
The canonical SMILES for (6R)-2,6-dimethyloctadeca-2,17-dien-8-ol is C=CCCCCCCCCC(O)C[C@H](C)CCC=C(C)C.
What is the InChIKey of (6R)-2,6-dimethyloctadeca-2,17-dien-8-ol?
The InChIKey is FFXBEYHEWILWRK-FIWHBWSRSA-N. The full InChI is InChI=1S/C20H38O/c1-5-6-7-8-9-10-11-12-16-20(21)17-19(4)15-13-14-18(2)3/h5,14,19-21H,1,6-13,15-17H2,2-4H3/t19-,20?/m1/s1.
What are the key properties of (6R)-2,6-dimethyloctadeca-2,17-dien-8-ol?
(6R)-2,6-dimethyloctadeca-2,17-dien-8-ol has a molecular weight of 294.52 g/mol, XLogP of 6.43, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2,6-dimethyloctadeca-2,17-dien-8-ol is sourced from PubChem (CID 10780182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).