(Z)-4-methyloct-3-en-2-one

C9H16O — CID 10701909

IUPAC(Z)-4-methyloct-3-en-2-one
SMILESCCCC/C(C)=C\C(C)=O
InChIInChI=1S/C9H16O/c1-4-5-6-8(2)7-9(3)10/h7H,4-6H2,1-3H3/b8-7-
InChIKeyWLXMJHISVXETJY-FPLPWBNLSA-N
MW140.23 g/mol
LogP2.71
Rot. Bonds4

About (Z)-4-methyloct-3-en-2-one

(Z)-4-methyloct-3-en-2-one (PubChem CID 10701909) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (Z)-4-methyloct-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-methyloct-3-en-2-one
PubChem CID10701909
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(Z)-4-methyloct-3-en-2-one
SMILESCCCC/C(C)=C\C(C)=O
InChIInChI=1S/C9H16O/c1-4-5-6-8(2)7-9(3)10/h7H,4-6H2,1-3H3/b8-7-
InChIKeyWLXMJHISVXETJY-FPLPWBNLSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyloct-3-en-2-one?
The IUPAC name of (Z)-4-methyloct-3-en-2-one (CID 10701909) is (Z)-4-methyloct-3-en-2-one.
What is the SMILES notation for (Z)-4-methyloct-3-en-2-one?
The canonical SMILES for (Z)-4-methyloct-3-en-2-one is CCCC/C(C)=C\C(C)=O.
What is the InChIKey of (Z)-4-methyloct-3-en-2-one?
The InChIKey is WLXMJHISVXETJY-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H16O/c1-4-5-6-8(2)7-9(3)10/h7H,4-6H2,1-3H3/b8-7-.
What are the key properties of (Z)-4-methyloct-3-en-2-one?
(Z)-4-methyloct-3-en-2-one has a molecular weight of 140.23 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyloct-3-en-2-one is sourced from PubChem (CID 10701909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).