(4R)-6-methoxy-4-methylhept-6-en-2-one

C9H16O2 — CID 59991058

IUPAC(4R)-6-methoxy-4-methylhept-6-en-2-one
SMILESC=C(C[C@@H](C)CC(C)=O)OC
InChIInChI=1S/C9H16O2/c1-7(5-8(2)10)6-9(3)11-4/h7H,3,5-6H2,1-2,4H3/t7-/m0/s1
InChIKeyKYQGECAKUXLIAC-ZETCQYMHSA-N
MW156.22 g/mol
LogP2.15
Rot. Bonds5

About (4R)-6-methoxy-4-methylhept-6-en-2-one

(4R)-6-methoxy-4-methylhept-6-en-2-one (PubChem CID 59991058) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (4R)-6-methoxy-4-methylhept-6-en-2-one.

Molecular Properties

Compound Name(4R)-6-methoxy-4-methylhept-6-en-2-one
PubChem CID59991058
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(4R)-6-methoxy-4-methylhept-6-en-2-one
SMILESC=C(C[C@@H](C)CC(C)=O)OC
InChIInChI=1S/C9H16O2/c1-7(5-8(2)10)6-9(3)11-4/h7H,3,5-6H2,1-2,4H3/t7-/m0/s1
InChIKeyKYQGECAKUXLIAC-ZETCQYMHSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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'}

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Related Compounds

1-Acetyl-4-methoxy-3-cyclohexene
CID 20342218
6-Methoxy-4-methylhept-6-en-2-one
CID 20769127
3-(3-Methoxypropyl)hept-6-en-2-one
CID 58003235
6-Ethoxy-4-methylhept-6-en-2-one
CID 58379225
4-(2-Methoxyethyl)hept-6-en-2-one
CID 58749987
4-(Methoxymethyl)hept-6-en-2-one
CID 59855038
3-(3-Methoxypropyl)hex-5-en-2-one
CID 59857922
6-Methoxyhept-6-en-2-one
CID 89313292
3-(1-Methoxyethenyl)cyclopentan-1-one
CID 90982761
4-(1-Methoxyethenyl)cyclohexan-1-one
CID 123611307
2-(1-Methoxyethenyl)cyclopentan-1-one
CID 143441058
7-Ethenoxy-4-methylhept-1-en-3-one
CID 152396656

Frequently Asked Questions

What is the IUPAC name of (4R)-6-methoxy-4-methylhept-6-en-2-one?
The IUPAC name of (4R)-6-methoxy-4-methylhept-6-en-2-one (CID 59991058) is (4R)-6-methoxy-4-methylhept-6-en-2-one.
What is the SMILES notation for (4R)-6-methoxy-4-methylhept-6-en-2-one?
The canonical SMILES for (4R)-6-methoxy-4-methylhept-6-en-2-one is C=C(C[C@@H](C)CC(C)=O)OC.
What is the InChIKey of (4R)-6-methoxy-4-methylhept-6-en-2-one?
The InChIKey is KYQGECAKUXLIAC-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(5-8(2)10)6-9(3)11-4/h7H,3,5-6H2,1-2,4H3/t7-/m0/s1.
What are the key properties of (4R)-6-methoxy-4-methylhept-6-en-2-one?
(4R)-6-methoxy-4-methylhept-6-en-2-one has a molecular weight of 156.22 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-methoxy-4-methylhept-6-en-2-one is sourced from PubChem (CID 59991058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).