8,9-dimethyldec-8-en-3-one

C12H22O — CID 141270649

IUPAC8,9-dimethyldec-8-en-3-one
SMILESCCC(=O)CCCCC(C)=C(C)C
InChIInChI=1S/C12H22O/c1-5-12(13)9-7-6-8-11(4)10(2)3/h5-9H2,1-4H3
InChIKeyDTSWPJYYRZEGCM-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.88
Rot. Bonds6

About 8,9-dimethyldec-8-en-3-one

8,9-dimethyldec-8-en-3-one (PubChem CID 141270649) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 8,9-dimethyldec-8-en-3-one.

Molecular Properties

Compound Name8,9-dimethyldec-8-en-3-one
PubChem CID141270649
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name8,9-dimethyldec-8-en-3-one
SMILESCCC(=O)CCCCC(C)=C(C)C
InChIInChI=1S/C12H22O/c1-5-12(13)9-7-6-8-11(4)10(2)3/h5-9H2,1-4H3
InChIKeyDTSWPJYYRZEGCM-UHFFFAOYSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.88
H-Bond Donors ≤ 50
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 8,9-dimethyldec-8-en-3-one?
The IUPAC name of 8,9-dimethyldec-8-en-3-one (CID 141270649) is 8,9-dimethyldec-8-en-3-one.
What is the SMILES notation for 8,9-dimethyldec-8-en-3-one?
The canonical SMILES for 8,9-dimethyldec-8-en-3-one is CCC(=O)CCCCC(C)=C(C)C.
What is the InChIKey of 8,9-dimethyldec-8-en-3-one?
The InChIKey is DTSWPJYYRZEGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-5-12(13)9-7-6-8-11(4)10(2)3/h5-9H2,1-4H3.
What are the key properties of 8,9-dimethyldec-8-en-3-one?
8,9-dimethyldec-8-en-3-one has a molecular weight of 182.31 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethyldec-8-en-3-one is sourced from PubChem (CID 141270649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).