methyl 6-(2,2-dimethoxyethyl)-2,6-dimethylcyclohexene-1-carboxylate

C14H24O4 — CID 134987462

IUPACmethyl 6-(2,2-dimethoxyethyl)-2,6-dimethylcyclohexene-1-carboxylate
SMILESCOC(=O)C1=C(C)CCCC1(C)CC(OC)OC
InChIInChI=1S/C14H24O4/c1-10-7-6-8-14(2,9-11(16-3)17-4)12(10)13(15)18-5/h11H,6-9H2,1-5H3
InChIKeyJDKHARSKLXFKJD-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.68
Rot. Bonds5

About methyl 6-(2,2-dimethoxyethyl)-2,6-dimethylcyclohexene-1-carboxylate

methyl 6-(2,2-dimethoxyethyl)-2,6-dimethylcyclohexene-1-carboxylate (PubChem CID 134987462) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is methyl 6-(2,2-dimethoxyethyl)-2,6-dimethylcyclohexene-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,2-dimethoxyethyl)-2,6-dimethylcyclohexene-1-carboxylate
PubChem CID134987462
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Namemethyl 6-(2,2-dimethoxyethyl)-2,6-dimethylcyclohexene-1-carboxylate
SMILESCOC(=O)C1=C(C)CCCC1(C)CC(OC)OC
InChIInChI=1S/C14H24O4/c1-10-7-6-8-14(2,9-11(16-3)17-4)12(10)13(15)18-5/h11H,6-9H2,1-5H3
InChIKeyJDKHARSKLXFKJD-UHFFFAOYSA-N
XLogP2.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methyl 6-(2,2-dimethoxyethyl)-2,6-dimethylcyclohexene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Cyclohexene-1-carboxylic acid, 2-ethyl-3,6,6-trimethyl-, ethyl ester
CID 175609
1-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
CID 585112
1-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, ethyl ester
CID 175173
methyl (2R,4R)-2-butoxy-6-methyl-4-pentyl-3,4-dihydro-2H-pyran-5-carboxylate
CID 102506617
methyl (2R,4S)-2-butoxy-6-methyl-4-pentyl-3,4-dihydro-2H-pyran-5-carboxylate
CID 102506618
methyl 6,6-dimethyl-2-(111C)methylcyclohexene-1-carboxylate
CID 11622445
Ethyl 2,3,6,6-tetramethylcyclohexene-1-carboxylate
CID 53997531
Dimethyl 4,4-dimethylcyclohexene-1,2-dicarboxylate
CID 54489796
Ethyl 2-tert-butylcyclohexene-1-carboxylate
CID 118880831
Ethyl 5,5-dimethyl-2-propan-2-ylcyclohexene-1-carboxylate
CID 130210403
Methyl 5,5-dimethyl-2-propan-2-ylcyclohexene-1-carboxylate
CID 130210405
Ethyl 2,5,5-trimethylcyclohexene-1-carboxylate
CID 135211555

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,2-dimethoxyethyl)-2,6-dimethylcyclohexene-1-carboxylate?
The IUPAC name of methyl 6-(2,2-dimethoxyethyl)-2,6-dimethylcyclohexene-1-carboxylate (CID 134987462) is methyl 6-(2,2-dimethoxyethyl)-2,6-dimethylcyclohexene-1-carboxylate.
What is the SMILES notation for methyl 6-(2,2-dimethoxyethyl)-2,6-dimethylcyclohexene-1-carboxylate?
The canonical SMILES for methyl 6-(2,2-dimethoxyethyl)-2,6-dimethylcyclohexene-1-carboxylate is COC(=O)C1=C(C)CCCC1(C)CC(OC)OC.
What is the InChIKey of methyl 6-(2,2-dimethoxyethyl)-2,6-dimethylcyclohexene-1-carboxylate?
The InChIKey is JDKHARSKLXFKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-10-7-6-8-14(2,9-11(16-3)17-4)12(10)13(15)18-5/h11H,6-9H2,1-5H3.
What are the key properties of methyl 6-(2,2-dimethoxyethyl)-2,6-dimethylcyclohexene-1-carboxylate?
methyl 6-(2,2-dimethoxyethyl)-2,6-dimethylcyclohexene-1-carboxylate has a molecular weight of 256.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,2-dimethoxyethyl)-2,6-dimethylcyclohexene-1-carboxylate is sourced from PubChem (CID 134987462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).