(6S)-6-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one

C11H16O2 — CID 91464345

IUPAC(6S)-6-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)[C@@]1(OC)CCC(C)=CC1=O
InChIInChI=1S/C11H16O2/c1-8(2)11(13-4)6-5-9(3)7-10(11)12/h7H,1,5-6H2,2-4H3/t11-/m0/s1
InChIKeyBRTZDCQNZKKULS-NSHDSACASA-N
MW180.25 g/mol
LogP2.26
Rot. Bonds2

About (6S)-6-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one

(6S)-6-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one (PubChem CID 91464345) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (6S)-6-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(6S)-6-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one
PubChem CID91464345
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(6S)-6-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)[C@@]1(OC)CCC(C)=CC1=O
InChIInChI=1S/C11H16O2/c1-8(2)11(13-4)6-5-9(3)7-10(11)12/h7H,1,5-6H2,2-4H3/t11-/m0/s1
InChIKeyBRTZDCQNZKKULS-NSHDSACASA-N
XLogP2.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-Butyl-4-methoxy-3-methylcyclohex-2-en-1-one
CID 134987218
Bicyclo[3.2.2]nona-3,6-dien-2-one, 1-methoxy-
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CID 130906183
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CID 153929733
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CID 154215018
1-(1-Methoxy-2-methylcyclohexa-2,5-dien-1-yl)hexan-1-one
CID 154344865
1-(1-Methoxy-2,6-dimethylcyclohexa-2,5-dien-1-yl)pentan-1-one
CID 154361076
1-(1-Methoxy-2,3,6-trimethylcyclohexa-2,5-dien-1-yl)pentan-1-one
CID 172745121
1-(1-Methoxy-2,6-dimethylcyclohexa-2,5-dien-1-yl)hexan-1-one
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Frequently Asked Questions

What is the IUPAC name of (6S)-6-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one?
The IUPAC name of (6S)-6-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one (CID 91464345) is (6S)-6-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for (6S)-6-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one?
The canonical SMILES for (6S)-6-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one is C=C(C)[C@@]1(OC)CCC(C)=CC1=O.
What is the InChIKey of (6S)-6-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one?
The InChIKey is BRTZDCQNZKKULS-NSHDSACASA-N. The full InChI is InChI=1S/C11H16O2/c1-8(2)11(13-4)6-5-9(3)7-10(11)12/h7H,1,5-6H2,2-4H3/t11-/m0/s1.
What are the key properties of (6S)-6-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one?
(6S)-6-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one has a molecular weight of 180.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 91464345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).