7-methyldec-8-en-5-one

C11H20O — CID 71382182

IUPAC7-methyldec-8-en-5-one
SMILESCC=CC(C)CC(=O)CCCC
InChIInChI=1S/C11H20O/c1-4-6-8-11(12)9-10(3)7-5-2/h5,7,10H,4,6,8-9H2,1-3H3
InChIKeyADXLISCEZIKSGV-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.35
Rot. Bonds6

About 7-methyldec-8-en-5-one

7-methyldec-8-en-5-one (PubChem CID 71382182) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 7-methyldec-8-en-5-one.

Molecular Properties

Compound Name7-methyldec-8-en-5-one
PubChem CID71382182
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name7-methyldec-8-en-5-one
SMILESCC=CC(C)CC(=O)CCCC
InChIInChI=1S/C11H20O/c1-4-6-8-11(12)9-10(3)7-5-2/h5,7,10H,4,6,8-9H2,1-3H3
InChIKeyADXLISCEZIKSGV-UHFFFAOYSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-methyldec-8-en-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-5-methyloct-6-en-3-one
CID 91563956
3-methylhex-4-enethioic S-acid
CID 57018176
2-aminooctan-4-one
CID 116555826
(E)-non-2-en-5-one
CID 15142787
4-methyloct-2-ene
CID 528286
2-methylhexadecan-4-one
CID 63411798
2-propylsulfanyloctan-4-one
CID 88902639
2-hydroxyundecan-4-one
CID 57218315
1,1-dimethoxyheptan-3-one
CID 10397274
heptan-3-one;non-2-ene
CID 175423097
(E)-4-methylicos-2-ene
CID 166512402
(Z,3R)-3-methyldec-4-enoic acid
CID 162918439

Frequently Asked Questions

What is the IUPAC name of 7-methyldec-8-en-5-one?
The IUPAC name of 7-methyldec-8-en-5-one (CID 71382182) is 7-methyldec-8-en-5-one.
What is the SMILES notation for 7-methyldec-8-en-5-one?
The canonical SMILES for 7-methyldec-8-en-5-one is CC=CC(C)CC(=O)CCCC.
What is the InChIKey of 7-methyldec-8-en-5-one?
The InChIKey is ADXLISCEZIKSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-4-6-8-11(12)9-10(3)7-5-2/h5,7,10H,4,6,8-9H2,1-3H3.
What are the key properties of 7-methyldec-8-en-5-one?
7-methyldec-8-en-5-one has a molecular weight of 168.28 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyldec-8-en-5-one is sourced from PubChem (CID 71382182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).