1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene

C15H26O5 — CID 160954199

IUPAC1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene
SMILESC=C(C)C.COCCC1(C(=O)O)CCCCC1C(=O)O
InChIInChI=1S/C11H18O5.C4H8/c1-16-7-6-11(10(14)15)5-3-2-4-8(11)9(12)13;1-4(2)3/h8H,2-7H2,1H3,(H,12,13)(H,14,15);1H2,2-3H3
InChIKeySWDXBEUTQBKPAV-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.95
Rot. Bonds5

About 1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene

1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene (PubChem CID 160954199) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene.

Molecular Properties

Compound Name1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene
PubChem CID160954199
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene
SMILESC=C(C)C.COCCC1(C(=O)O)CCCCC1C(=O)O
InChIInChI=1S/C11H18O5.C4H8/c1-16-7-6-11(10(14)15)5-3-2-4-8(11)9(12)13;1-4(2)3/h8H,2-7H2,1H3,(H,12,13)(H,14,15);1H2,2-3H3
InChIKeySWDXBEUTQBKPAV-UHFFFAOYSA-N
XLogP2.95
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene 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-[2-(2-Methylprop-2-enoyloxy)propyl]cyclohexane-1,2-dicarboxylic acid
CID 18327178
2-(2-Methylprop-2-enoylperoxycarbonyl)-2-propan-2-ylcyclohexane-1-carboxylic acid
CID 20075324
2-Methyl-2-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid
CID 21426908
1-[2-(2-Methylprop-2-enoyloxy)ethyl]cyclohexane-1,2-dicarboxylic acid
CID 21896285
1-[3-(2-Methylprop-2-enoyloxy)propyl]cyclohexane-1,2-dicarboxylic acid
CID 23153638
2-(1-Methoxycarbonylcyclohexyl)-4-methylpent-4-enoic acid
CID 57606194
1-[2-(2-Methylprop-2-enoyloxy)butyl]cyclohexane-1,2-dicarboxylic acid
CID 66742510
4-Methyl-(2-methacryloyloxyethyl)hexahydrophthalic acid
CID 67451049
1-[2-(2-Carboxyprop-1-enoxy)ethyl]cyclohexane-1,2-dicarboxylic acid
CID 67659809
1-[2-(2-Carboxyprop-1-enoxy)propyl]cyclohexane-1,2-dicarboxylic acid
CID 67660893
trans-(1S,2S)-2-ethoxycarbonyl-5-methylidenecyclohexane-1-carboxylic acid
CID 68198974
1-[2-(2-Methylprop-2-enoxy)ethyl]cyclohexane-1,2-dicarboxylic acid
CID 69776547

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene?
The IUPAC name of 1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene (CID 160954199) is 1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene.
What is the SMILES notation for 1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene?
The canonical SMILES for 1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene is C=C(C)C.COCCC1(C(=O)O)CCCCC1C(=O)O.
What is the InChIKey of 1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene?
The InChIKey is SWDXBEUTQBKPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5.C4H8/c1-16-7-6-11(10(14)15)5-3-2-4-8(11)9(12)13;1-4(2)3/h8H,2-7H2,1H3,(H,12,13)(H,14,15);1H2,2-3H3.
What are the key properties of 1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene?
1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene has a molecular weight of 286.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene is sourced from PubChem (CID 160954199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).