ethyl 2,3-dimethoxycyclohexene-1-carboxylate

C11H18O4 — CID 141171987

IUPACethyl 2,3-dimethoxycyclohexene-1-carboxylate
SMILESCCOC(=O)C1=C(OC)C(OC)CCC1
InChIInChI=1S/C11H18O4/c1-4-15-11(12)8-6-5-7-9(13-2)10(8)14-3/h9H,4-7H2,1-3H3
InChIKeyNEYNXOJUGNJAMT-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.65
Rot. Bonds4

About ethyl 2,3-dimethoxycyclohexene-1-carboxylate

ethyl 2,3-dimethoxycyclohexene-1-carboxylate (PubChem CID 141171987) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 2,3-dimethoxycyclohexene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,3-dimethoxycyclohexene-1-carboxylate
PubChem CID141171987
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Nameethyl 2,3-dimethoxycyclohexene-1-carboxylate
SMILESCCOC(=O)C1=C(OC)C(OC)CCC1
InChIInChI=1S/C11H18O4/c1-4-15-11(12)8-6-5-7-9(13-2)10(8)14-3/h9H,4-7H2,1-3H3
InChIKeyNEYNXOJUGNJAMT-UHFFFAOYSA-N
XLogP1.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester
CID 86111
3-butyl-4,5,6,7-tetrahydro-3H-2-benzofuran-1-one
CID 5315566
4-Hydroxy-3-octyl-2(5H)-furanone
CID 54692150
[3,5-Dibutyl-2-(3-methyloxiran-2-yl)-6-oxopyran-4-yl] acetate
CID 23276169
Ethyl 2-methylcyclohex-1-ene-1-carboxylate
CID 14890156
Ethyl 2-hydroxycyclohex-1-ene-1-carboxylate
CID 54695815
Ethyl 2-methyl-6-oxo-4-pentylpyran-3-carboxylate
CID 101410529
Ethyl 2-acetyloxycyclohexene-1-carboxylate
CID 15275619
(1-Ethylpropoxy)-1-cyclohexene-1-carboxylic acid
CID 17894345
3-butyl-4-hexyl-2-methyl-2H-furan-5-one
CID 139240510
1-Cyclohexene-1,2-dicarboxylic acid, dioctyl ester
CID 15014795
Propan-2-yl 3,3,4,4,5,5,6,6-octafluoro-2-methoxycyclohexene-1-carboxylate
CID 25103639

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dimethoxycyclohexene-1-carboxylate?
The IUPAC name of ethyl 2,3-dimethoxycyclohexene-1-carboxylate (CID 141171987) is ethyl 2,3-dimethoxycyclohexene-1-carboxylate.
What is the SMILES notation for ethyl 2,3-dimethoxycyclohexene-1-carboxylate?
The canonical SMILES for ethyl 2,3-dimethoxycyclohexene-1-carboxylate is CCOC(=O)C1=C(OC)C(OC)CCC1.
What is the InChIKey of ethyl 2,3-dimethoxycyclohexene-1-carboxylate?
The InChIKey is NEYNXOJUGNJAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-4-15-11(12)8-6-5-7-9(13-2)10(8)14-3/h9H,4-7H2,1-3H3.
What are the key properties of ethyl 2,3-dimethoxycyclohexene-1-carboxylate?
ethyl 2,3-dimethoxycyclohexene-1-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dimethoxycyclohexene-1-carboxylate is sourced from PubChem (CID 141171987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).