(6S)-2-methoxy-4,6-dimethylcyclohex-3-en-1-one

C9H14O2 — CID 54085759

IUPAC(6S)-2-methoxy-4,6-dimethylcyclohex-3-en-1-one
SMILESCOC1C=C(C)C[C@H](C)C1=O
InChIInChI=1S/C9H14O2/c1-6-4-7(2)9(10)8(5-6)11-3/h5,7-8H,4H2,1-3H3/t7-,8?/m0/s1
InChIKeyMQIKBKOTNAJIMY-JAMMHHFISA-N
MW154.21 g/mol
LogP1.56
Rot. Bonds1

About (6S)-2-methoxy-4,6-dimethylcyclohex-3-en-1-one

(6S)-2-methoxy-4,6-dimethylcyclohex-3-en-1-one (PubChem CID 54085759) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (6S)-2-methoxy-4,6-dimethylcyclohex-3-en-1-one.

Molecular Properties

Compound Name(6S)-2-methoxy-4,6-dimethylcyclohex-3-en-1-one
PubChem CID54085759
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(6S)-2-methoxy-4,6-dimethylcyclohex-3-en-1-one
SMILESCOC1C=C(C)C[C@H](C)C1=O
InChIInChI=1S/C9H14O2/c1-6-4-7(2)9(10)8(5-6)11-3/h5,7-8H,4H2,1-3H3/t7-,8?/m0/s1
InChIKeyMQIKBKOTNAJIMY-JAMMHHFISA-N
XLogP1.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.56
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

1-[(1R, 2S)-2-Methoxycyclohex-3-en-1-yl]-propan-1-one
CID 57847649
(6R)-2-methoxy-4,6-dimethylcyclohex-3-en-1-one
CID 59918334
1-(2,6-Dimethylcyclohexa-2,5-dien-1-yl)-1-methoxypentan-2-one
CID 67427447
3-Ethyl-2-methoxycyclopent-3-en-1-one
CID 70533164
4-Methoxy-2,5-dimethylcyclohex-2-en-1-one
CID 123615702
1-(1-Methoxy-2-methylcyclohexa-2,5-dien-1-yl)pentan-1-one
CID 154215018
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
(E)-2-methoxy-5,7-dimethyldec-7-en-3-one
CID 174147360
1-(1-Methoxy-2,6-dimethylcyclohexa-2,5-dien-1-yl)hexan-1-one
CID 174719221
1-(1-Methoxycyclohexa-2,5-dien-1-yl)pentan-1-one
CID 174719230
1-(1-Methoxy-2,6-dimethylcyclohexa-2,5-dien-1-yl)-2-methylpropan-1-one
CID 174719238

Frequently Asked Questions

What is the IUPAC name of (6S)-2-methoxy-4,6-dimethylcyclohex-3-en-1-one?
The IUPAC name of (6S)-2-methoxy-4,6-dimethylcyclohex-3-en-1-one (CID 54085759) is (6S)-2-methoxy-4,6-dimethylcyclohex-3-en-1-one.
What is the SMILES notation for (6S)-2-methoxy-4,6-dimethylcyclohex-3-en-1-one?
The canonical SMILES for (6S)-2-methoxy-4,6-dimethylcyclohex-3-en-1-one is COC1C=C(C)C[C@H](C)C1=O.
What is the InChIKey of (6S)-2-methoxy-4,6-dimethylcyclohex-3-en-1-one?
The InChIKey is MQIKBKOTNAJIMY-JAMMHHFISA-N. The full InChI is InChI=1S/C9H14O2/c1-6-4-7(2)9(10)8(5-6)11-3/h5,7-8H,4H2,1-3H3/t7-,8?/m0/s1.
What are the key properties of (6S)-2-methoxy-4,6-dimethylcyclohex-3-en-1-one?
(6S)-2-methoxy-4,6-dimethylcyclohex-3-en-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-methoxy-4,6-dimethylcyclohex-3-en-1-one is sourced from PubChem (CID 54085759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).