(Z)-3-methylnon-3-en-2-one

C10H18O — CID 98567788

IUPAC(Z)-3-methylnon-3-en-2-one
SMILESCCCCC/C=C(/C)C(C)=O
InChIInChI=1S/C10H18O/c1-4-5-6-7-8-9(2)10(3)11/h8H,4-7H2,1-3H3/b9-8-
InChIKeyMNUPLBRMYZJYJZ-HJWRWDBZSA-N
MW154.25 g/mol
LogP3.10
Rot. Bonds5

About (Z)-3-methylnon-3-en-2-one

(Z)-3-methylnon-3-en-2-one (PubChem CID 98567788) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (Z)-3-methylnon-3-en-2-one.

Molecular Properties

Compound Name(Z)-3-methylnon-3-en-2-one
PubChem CID98567788
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(Z)-3-methylnon-3-en-2-one
SMILESCCCCC/C=C(/C)C(C)=O
InChIInChI=1S/C10H18O/c1-4-5-6-7-8-9(2)10(3)11/h8H,4-7H2,1-3H3/b9-8-
InChIKeyMNUPLBRMYZJYJZ-HJWRWDBZSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 53.10
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

(3E,8E)-3,9-dimethylundeca-3,8-diene-2,10-dione
CID 10443045
(Z)-2-methylnon-2-enoic acid
CID 19098031
(E)-2-methylnonacos-2-enoic acid
CID 87108662
2-methylhentriacont-2-enoic acid
CID 141160211
2-methyldodec-2-enoyl chloride
CID 72833281
(E)-2-methylhexadec-2-enamide
CID 87240184
2-methylnonacos-2-enamide
CID 141002865
2-methylheptadec-2-enoic acid;hydrofluoride
CID 174883773
2-methylpentadec-2-enethioic S-acid
CID 87863769
2-methylpentadec-2-enoyl 2-methylhenicos-2-enoate
CID 173367068
methyl 2-methyloct-2-enoate
CID 71403822
(Z)-3-methylpent-3-en-2-one;pentane
CID 54554891

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methylnon-3-en-2-one?
The IUPAC name of (Z)-3-methylnon-3-en-2-one (CID 98567788) is (Z)-3-methylnon-3-en-2-one.
What is the SMILES notation for (Z)-3-methylnon-3-en-2-one?
The canonical SMILES for (Z)-3-methylnon-3-en-2-one is CCCCC/C=C(/C)C(C)=O.
What is the InChIKey of (Z)-3-methylnon-3-en-2-one?
The InChIKey is MNUPLBRMYZJYJZ-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H18O/c1-4-5-6-7-8-9(2)10(3)11/h8H,4-7H2,1-3H3/b9-8-.
What are the key properties of (Z)-3-methylnon-3-en-2-one?
(Z)-3-methylnon-3-en-2-one has a molecular weight of 154.25 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methylnon-3-en-2-one is sourced from PubChem (CID 98567788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).