(Z)-4-methyldec-4-en-2-one

C11H20O — CID 15267519

IUPAC(Z)-4-methyldec-4-en-2-one
SMILESCCCCC/C=C(/C)CC(C)=O
InChIInChI=1S/C11H20O/c1-4-5-6-7-8-10(2)9-11(3)12/h8H,4-7,9H2,1-3H3/b10-8-
InChIKeyCDQSLXDVIGBZEW-NTMALXAHSA-N
MW168.28 g/mol
LogP3.49
Rot. Bonds6

About (Z)-4-methyldec-4-en-2-one

(Z)-4-methyldec-4-en-2-one (PubChem CID 15267519) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (Z)-4-methyldec-4-en-2-one.

Molecular Properties

Compound Name(Z)-4-methyldec-4-en-2-one
PubChem CID15267519
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(Z)-4-methyldec-4-en-2-one
SMILESCCCCC/C=C(/C)CC(C)=O
InChIInChI=1S/C11H20O/c1-4-5-6-7-8-10(2)9-11(3)12/h8H,4-7,9H2,1-3H3/b10-8-
InChIKeyCDQSLXDVIGBZEW-NTMALXAHSA-N
XLogP3.49
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 ≤ 53.49
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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Related Compounds

methyl (E)-3-methylnon-3-enoate
CID 121218626
(E)-3-methylnon-3-ene
CID 5364647
3-methyloctadec-3-ene
CID 91073568
(Z)-3-methylheptadec-3-ene
CID 159647191
3-methylicos-3-ene
CID 91445266
(Z)-3-methylpentadec-3-ene
CID 14954714
6-methyldocos-6-ene
CID 629460
(Z)-3-methylnon-3-en-2-one
CID 98567788
(E)-9-methylnonadec-9-ene
CID 14783585
4-methylhexadec-4-ene
CID 174447790
7-methylhenicos-7-ene
CID 173033031
(E)-10-methylnonadec-9-ene
CID 5364653

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyldec-4-en-2-one?
The IUPAC name of (Z)-4-methyldec-4-en-2-one (CID 15267519) is (Z)-4-methyldec-4-en-2-one.
What is the SMILES notation for (Z)-4-methyldec-4-en-2-one?
The canonical SMILES for (Z)-4-methyldec-4-en-2-one is CCCCC/C=C(/C)CC(C)=O.
What is the InChIKey of (Z)-4-methyldec-4-en-2-one?
The InChIKey is CDQSLXDVIGBZEW-NTMALXAHSA-N. The full InChI is InChI=1S/C11H20O/c1-4-5-6-7-8-10(2)9-11(3)12/h8H,4-7,9H2,1-3H3/b10-8-.
What are the key properties of (Z)-4-methyldec-4-en-2-one?
(Z)-4-methyldec-4-en-2-one has a molecular weight of 168.28 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyldec-4-en-2-one is sourced from PubChem (CID 15267519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).