3,4-dimethoxy-6-methyl-1-propan-2-ylcyclohexene

C12H22O2 — CID 173301915

IUPAC3,4-dimethoxy-6-methyl-1-propan-2-ylcyclohexene
SMILESCOC1C=C(C(C)C)C(C)CC1OC
InChIInChI=1S/C12H22O2/c1-8(2)10-7-12(14-5)11(13-4)6-9(10)3/h7-9,11-12H,6H2,1-5H3
InChIKeyQJLZZQCUZRYWRJ-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.64
Rot. Bonds3

About 3,4-dimethoxy-6-methyl-1-propan-2-ylcyclohexene

3,4-dimethoxy-6-methyl-1-propan-2-ylcyclohexene (PubChem CID 173301915) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3,4-dimethoxy-6-methyl-1-propan-2-ylcyclohexene.

Molecular Properties

Compound Name3,4-dimethoxy-6-methyl-1-propan-2-ylcyclohexene
PubChem CID173301915
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name3,4-dimethoxy-6-methyl-1-propan-2-ylcyclohexene
SMILESCOC1C=C(C(C)C)C(C)CC1OC
InChIInChI=1S/C12H22O2/c1-8(2)10-7-12(14-5)11(13-4)6-9(10)3/h7-9,11-12H,6H2,1-5H3
InChIKeyQJLZZQCUZRYWRJ-UHFFFAOYSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-6-methyl-1-propan-2-ylcyclohexene?
The IUPAC name of 3,4-dimethoxy-6-methyl-1-propan-2-ylcyclohexene (CID 173301915) is 3,4-dimethoxy-6-methyl-1-propan-2-ylcyclohexene.
What is the SMILES notation for 3,4-dimethoxy-6-methyl-1-propan-2-ylcyclohexene?
The canonical SMILES for 3,4-dimethoxy-6-methyl-1-propan-2-ylcyclohexene is COC1C=C(C(C)C)C(C)CC1OC.
What is the InChIKey of 3,4-dimethoxy-6-methyl-1-propan-2-ylcyclohexene?
The InChIKey is QJLZZQCUZRYWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-8(2)10-7-12(14-5)11(13-4)6-9(10)3/h7-9,11-12H,6H2,1-5H3.
What are the key properties of 3,4-dimethoxy-6-methyl-1-propan-2-ylcyclohexene?
3,4-dimethoxy-6-methyl-1-propan-2-ylcyclohexene has a molecular weight of 198.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-6-methyl-1-propan-2-ylcyclohexene is sourced from PubChem (CID 173301915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).