4-methylundec-3-en-2-one

C12H22O — CID 103970939

IUPAC4-methylundec-3-en-2-one
SMILESCCCCCCCC(C)=CC(C)=O
InChIInChI=1S/C12H22O/c1-4-5-6-7-8-9-11(2)10-12(3)13/h10H,4-9H2,1-3H3
InChIKeyZPTJQSMCAAGJCC-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.88
Rot. Bonds7

About 4-methylundec-3-en-2-one

4-methylundec-3-en-2-one (PubChem CID 103970939) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-methylundec-3-en-2-one.

Molecular Properties

Compound Name4-methylundec-3-en-2-one
PubChem CID103970939
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name4-methylundec-3-en-2-one
SMILESCCCCCCCC(C)=CC(C)=O
InChIInChI=1S/C12H22O/c1-4-5-6-7-8-9-11(2)10-12(3)13/h10H,4-9H2,1-3H3
InChIKeyZPTJQSMCAAGJCC-UHFFFAOYSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-methyldodec-3-en-2-one
CID 19609505
(Z)-4-methylundec-3-en-2-one
CID 121464257
(Z)-12-methylhenicos-11-en-10-one
CID 122379193
3-methylpentadec-2-enamide
CID 174903366
(2E,4E)-3,5-dimethylicosa-2,4-dienoic acid
CID 11056828
methyl (Z)-3-methyloct-2-enoate
CID 14332772
ethyl (Z)-3-methylundec-2-enoate
CID 89095878
tricosan-2-one
CID 529806
docosan-2-one
CID 522660
octadecakis(hexane);nonan-2-one
CID 173226284
nonan-2-one
CID 13187
decan-2-one
CID 12741

Frequently Asked Questions

What is the IUPAC name of 4-methylundec-3-en-2-one?
The IUPAC name of 4-methylundec-3-en-2-one (CID 103970939) is 4-methylundec-3-en-2-one.
What is the SMILES notation for 4-methylundec-3-en-2-one?
The canonical SMILES for 4-methylundec-3-en-2-one is CCCCCCCC(C)=CC(C)=O.
What is the InChIKey of 4-methylundec-3-en-2-one?
The InChIKey is ZPTJQSMCAAGJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-4-5-6-7-8-9-11(2)10-12(3)13/h10H,4-9H2,1-3H3.
What are the key properties of 4-methylundec-3-en-2-one?
4-methylundec-3-en-2-one has a molecular weight of 182.31 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylundec-3-en-2-one is sourced from PubChem (CID 103970939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).