6,10-diethyl-2,14-dimethylpentadeca-6,9-dien-8-one

C21H38O — CID 139998284

IUPAC6,10-diethyl-2,14-dimethylpentadeca-6,9-dien-8-one
SMILESCCC(=CC(=O)C=C(CC)CCCC(C)C)CCCC(C)C
InChIInChI=1S/C21H38O/c1-7-19(13-9-11-17(3)4)15-21(22)16-20(8-2)14-10-12-18(5)6/h15-18H,7-14H2,1-6H3
InChIKeyAXXCNQZSEBDQMQ-UHFFFAOYSA-N
MW306.53 g/mol
LogP6.88
Rot. Bonds12

About 6,10-diethyl-2,14-dimethylpentadeca-6,9-dien-8-one

6,10-diethyl-2,14-dimethylpentadeca-6,9-dien-8-one (PubChem CID 139998284) has the molecular formula C21H38O and a molecular weight of 306.53 g/mol. Its IUPAC name is 6,10-diethyl-2,14-dimethylpentadeca-6,9-dien-8-one.

Molecular Properties

Compound Name6,10-diethyl-2,14-dimethylpentadeca-6,9-dien-8-one
PubChem CID139998284
Molecular FormulaC21H38O
Molecular Weight306.53 g/mol
Exact Mass306.29
IUPAC Name6,10-diethyl-2,14-dimethylpentadeca-6,9-dien-8-one
SMILESCCC(=CC(=O)C=C(CC)CCCC(C)C)CCCC(C)C
InChIInChI=1S/C21H38O/c1-7-19(13-9-11-17(3)4)15-21(22)16-20(8-2)14-10-12-18(5)6/h15-18H,7-14H2,1-6H3
InChIKeyAXXCNQZSEBDQMQ-UHFFFAOYSA-N
XLogP6.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.53
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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18-methylnonadecan-2-one
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CID 152759081

Frequently Asked Questions

What is the IUPAC name of 6,10-diethyl-2,14-dimethylpentadeca-6,9-dien-8-one?
The IUPAC name of 6,10-diethyl-2,14-dimethylpentadeca-6,9-dien-8-one (CID 139998284) is 6,10-diethyl-2,14-dimethylpentadeca-6,9-dien-8-one.
What is the SMILES notation for 6,10-diethyl-2,14-dimethylpentadeca-6,9-dien-8-one?
The canonical SMILES for 6,10-diethyl-2,14-dimethylpentadeca-6,9-dien-8-one is CCC(=CC(=O)C=C(CC)CCCC(C)C)CCCC(C)C.
What is the InChIKey of 6,10-diethyl-2,14-dimethylpentadeca-6,9-dien-8-one?
The InChIKey is AXXCNQZSEBDQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O/c1-7-19(13-9-11-17(3)4)15-21(22)16-20(8-2)14-10-12-18(5)6/h15-18H,7-14H2,1-6H3.
What are the key properties of 6,10-diethyl-2,14-dimethylpentadeca-6,9-dien-8-one?
6,10-diethyl-2,14-dimethylpentadeca-6,9-dien-8-one has a molecular weight of 306.53 g/mol, XLogP of 6.88, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-diethyl-2,14-dimethylpentadeca-6,9-dien-8-one is sourced from PubChem (CID 139998284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).