10-methylundec-1-en-1-one

C12H22O — CID 57250938

IUPAC10-methylundec-1-en-1-one
SMILESCC(C)CCCCCCCC=C=O
InChIInChI=1S/C12H22O/c1-12(2)10-8-6-4-3-5-7-9-11-13/h9,12H,3-8,10H2,1-2H3
InChIKeyMPXZOCSOOGAHNH-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.76
Rot. Bonds8

About 10-methylundec-1-en-1-one

10-methylundec-1-en-1-one (PubChem CID 57250938) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 10-methylundec-1-en-1-one.

Molecular Properties

Compound Name10-methylundec-1-en-1-one
PubChem CID57250938
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name10-methylundec-1-en-1-one
SMILESCC(C)CCCCCCCC=C=O
InChIInChI=1S/C12H22O/c1-12(2)10-8-6-4-3-5-7-9-11-13/h9,12H,3-8,10H2,1-2H3
InChIKeyMPXZOCSOOGAHNH-UHFFFAOYSA-N
XLogP3.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 10-methylundec-1-en-1-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

12-methyltridecanal
CID 146297718
22-methyltricosanal
CID 86049143
18-methylnonadecanal
CID 22123977
(E)-2,15-dimethylhexadec-8-ene
CID 176630932
(Z)-2,15-dimethylhexadec-8-ene
CID 176630952
methane;12-methyltridecanal
CID 175307429
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
(E)-2,16-dimethylheptadec-6-ene
CID 176630989
(Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene
CID 161032897
(Z)-2,16-dimethylheptadec-6-ene
CID 176630987
(E)-2,13-dimethyltetradec-7-ene
CID 176630990

Frequently Asked Questions

What is the IUPAC name of 10-methylundec-1-en-1-one?
The IUPAC name of 10-methylundec-1-en-1-one (CID 57250938) is 10-methylundec-1-en-1-one.
What is the SMILES notation for 10-methylundec-1-en-1-one?
The canonical SMILES for 10-methylundec-1-en-1-one is CC(C)CCCCCCCC=C=O.
What is the InChIKey of 10-methylundec-1-en-1-one?
The InChIKey is MPXZOCSOOGAHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-12(2)10-8-6-4-3-5-7-9-11-13/h9,12H,3-8,10H2,1-2H3.
What are the key properties of 10-methylundec-1-en-1-one?
10-methylundec-1-en-1-one has a molecular weight of 182.31 g/mol, XLogP of 3.76, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylundec-1-en-1-one is sourced from PubChem (CID 57250938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).