1,3-dimethoxy-5-methylcyclohexene

C9H16O2 — CID 123659997

IUPAC1,3-dimethoxy-5-methylcyclohexene
SMILESCOC1=CC(OC)CC(C)C1
InChIInChI=1S/C9H16O2/c1-7-4-8(10-2)6-9(5-7)11-3/h6-8H,4-5H2,1-3H3
InChIKeyCYDXOWVOLBVGMB-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.96
Rot. Bonds2

About 1,3-dimethoxy-5-methylcyclohexene

1,3-dimethoxy-5-methylcyclohexene (PubChem CID 123659997) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1,3-dimethoxy-5-methylcyclohexene.

Molecular Properties

Compound Name1,3-dimethoxy-5-methylcyclohexene
PubChem CID123659997
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1,3-dimethoxy-5-methylcyclohexene
SMILESCOC1=CC(OC)CC(C)C1
InChIInChI=1S/C9H16O2/c1-7-4-8(10-2)6-9(5-7)11-3/h6-8H,4-5H2,1-3H3
InChIKeyCYDXOWVOLBVGMB-UHFFFAOYSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R,4R)-4-methoxy-2-[(2S)-1-(methoxymethoxy)propan-2-yl]-3,6-dimethyl-3,4-dihydro-2H-pyran
CID 23635075
1,3-Diethoxy-5,5-dimethylcyclohexene
CID 10899609
[3-(2-Methylpropoxy)-5-propan-2-yloxycyclohex-3-en-1-yl]methanol
CID 67489408
(3Z)-3-(2-methoxyethylidene)-2,4-dimethyloxane
CID 67559536
1,4-Dimethyl-3-prop-1-en-2-yloxycyclohexene
CID 68097134
1,5-Bis(methoxymethyl)cyclohexene
CID 68340970
[(6R)-3-acetyloxy-6-propan-2-ylcyclohex-2-en-1-yl] acetate
CID 71050625
1,3-Dimethoxycyclohexene
CID 85914585
2-methyl-4-(2H-pyran-2-yl)butan-1-ol
CID 140031693
1,3-Dipropoxycyclohexene
CID 141951114
1,2,3-Trimethoxy-3-propan-2-yloxy-5-prop-2-enylcyclohexene
CID 145001992
(6E)-6-ethylidene-2,4-dimethyl-3-methylideneoxane
CID 146879388

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-methylcyclohexene?
The IUPAC name of 1,3-dimethoxy-5-methylcyclohexene (CID 123659997) is 1,3-dimethoxy-5-methylcyclohexene.
What is the SMILES notation for 1,3-dimethoxy-5-methylcyclohexene?
The canonical SMILES for 1,3-dimethoxy-5-methylcyclohexene is COC1=CC(OC)CC(C)C1.
What is the InChIKey of 1,3-dimethoxy-5-methylcyclohexene?
The InChIKey is CYDXOWVOLBVGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-4-8(10-2)6-9(5-7)11-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 1,3-dimethoxy-5-methylcyclohexene?
1,3-dimethoxy-5-methylcyclohexene has a molecular weight of 156.22 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-methylcyclohexene is sourced from PubChem (CID 123659997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).