3,4-dimethoxycyclohex-2-en-1-one

C8H12O3 — CID 14414069

IUPAC3,4-dimethoxycyclohex-2-en-1-one
SMILESCOC1=CC(=O)CCC1OC
InChIInChI=1S/C8H12O3/c1-10-7-4-3-6(9)5-8(7)11-2/h5,7H,3-4H2,1-2H3
InChIKeyXCQRWYJPLLCTFN-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.89
Rot. Bonds2

About 3,4-dimethoxycyclohex-2-en-1-one

3,4-dimethoxycyclohex-2-en-1-one (PubChem CID 14414069) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 3,4-dimethoxycyclohex-2-en-1-one.

Molecular Properties

Compound Name3,4-dimethoxycyclohex-2-en-1-one
PubChem CID14414069
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name3,4-dimethoxycyclohex-2-en-1-one
SMILESCOC1=CC(=O)CCC1OC
InChIInChI=1S/C8H12O3/c1-10-7-4-3-6(9)5-8(7)11-2/h5,7H,3-4H2,1-2H3
InChIKeyXCQRWYJPLLCTFN-UHFFFAOYSA-N
XLogP0.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Isopropoxycyclohex-2-en-1-one
CID 94095
3,4,4-Trimethoxy-2-cyclohexen-1-one
CID 24978363
3-(3-Methylbut-2-enoxy)cyclohex-2-en-1-one
CID 102168115
3,4,5-Trimethoxycyclohex-2-en-1-one
CID 134868498
4,5-Dimethoxycyclohex-3-ene-1,2-dione
CID 4395782
3,4a,5,6-tetrahydro-2H-1,4-benzodioxin-7-one
CID 139670653
5,6-Dimethoxycyclohex-4-ene-1,3-dione
CID 159475247
1-(4,5-Dimethoxycyclohexa-1,3-dien-1-yl)ethanone
CID 163744695
4-Hydroxy-3-methoxycyclohex-2-en-1-one
CID 10855560
2-Cyclohexen-1-one, 3-(2-propenyloxy)-
CID 11217349
3-Pent-1-en-3-yloxycyclohex-2-en-1-one
CID 12743796
3-(2-Methyl-2-propenyloxy)-2-cyclohexen-1-one
CID 13926230

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxycyclohex-2-en-1-one?
The IUPAC name of 3,4-dimethoxycyclohex-2-en-1-one (CID 14414069) is 3,4-dimethoxycyclohex-2-en-1-one.
What is the SMILES notation for 3,4-dimethoxycyclohex-2-en-1-one?
The canonical SMILES for 3,4-dimethoxycyclohex-2-en-1-one is COC1=CC(=O)CCC1OC.
What is the InChIKey of 3,4-dimethoxycyclohex-2-en-1-one?
The InChIKey is XCQRWYJPLLCTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-10-7-4-3-6(9)5-8(7)11-2/h5,7H,3-4H2,1-2H3.
What are the key properties of 3,4-dimethoxycyclohex-2-en-1-one?
3,4-dimethoxycyclohex-2-en-1-one has a molecular weight of 156.18 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxycyclohex-2-en-1-one is sourced from PubChem (CID 14414069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).