(Z)-4-methoxy-6-methylhept-3-en-2-one

C9H16O2 — CID 118447959

IUPAC(Z)-4-methoxy-6-methylhept-3-en-2-one
SMILESCO/C(=C\C(C)=O)CC(C)C
InChIInChI=1S/C9H16O2/c1-7(2)5-9(11-4)6-8(3)10/h6-7H,5H2,1-4H3/b9-6-
InChIKeyUKNHAXLDTOHXDR-TWGQIWQCSA-N
MW156.22 g/mol
LogP2.15
Rot. Bonds4

About (Z)-4-methoxy-6-methylhept-3-en-2-one

(Z)-4-methoxy-6-methylhept-3-en-2-one (PubChem CID 118447959) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (Z)-4-methoxy-6-methylhept-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-methoxy-6-methylhept-3-en-2-one
PubChem CID118447959
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(Z)-4-methoxy-6-methylhept-3-en-2-one
SMILESCO/C(=C\C(C)=O)CC(C)C
InChIInChI=1S/C9H16O2/c1-7(2)5-9(11-4)6-8(3)10/h6-7H,5H2,1-4H3/b9-6-
InChIKeyUKNHAXLDTOHXDR-TWGQIWQCSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-methoxy-6-methylhept-3-en-2-one?
The IUPAC name of (Z)-4-methoxy-6-methylhept-3-en-2-one (CID 118447959) is (Z)-4-methoxy-6-methylhept-3-en-2-one.
What is the SMILES notation for (Z)-4-methoxy-6-methylhept-3-en-2-one?
The canonical SMILES for (Z)-4-methoxy-6-methylhept-3-en-2-one is CO/C(=C\C(C)=O)CC(C)C.
What is the InChIKey of (Z)-4-methoxy-6-methylhept-3-en-2-one?
The InChIKey is UKNHAXLDTOHXDR-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(2)5-9(11-4)6-8(3)10/h6-7H,5H2,1-4H3/b9-6-.
What are the key properties of (Z)-4-methoxy-6-methylhept-3-en-2-one?
(Z)-4-methoxy-6-methylhept-3-en-2-one has a molecular weight of 156.22 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methoxy-6-methylhept-3-en-2-one is sourced from PubChem (CID 118447959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).