1-(2-prop-2-enoyloxypropyl)cyclohexane-1,2-dicarboxylic acid

C14H20O6 — CID 56634315

IUPAC1-(2-prop-2-enoyloxypropyl)cyclohexane-1,2-dicarboxylic acid
SMILESC=CC(=O)OC(C)CC1(C(=O)O)CCCCC1C(=O)O
InChIInChI=1S/C14H20O6/c1-3-11(15)20-9(2)8-14(13(18)19)7-5-4-6-10(14)12(16)17/h3,9-10H,1,4-8H2,2H3,(H,16,17)(H,18,19)
InChIKeyCWERFXDMOOJRLD-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.84
Rot. Bonds6

About 1-(2-prop-2-enoyloxypropyl)cyclohexane-1,2-dicarboxylic acid

1-(2-prop-2-enoyloxypropyl)cyclohexane-1,2-dicarboxylic acid (PubChem CID 56634315) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-(2-prop-2-enoyloxypropyl)cyclohexane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name1-(2-prop-2-enoyloxypropyl)cyclohexane-1,2-dicarboxylic acid
PubChem CID56634315
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name1-(2-prop-2-enoyloxypropyl)cyclohexane-1,2-dicarboxylic acid
SMILESC=CC(=O)OC(C)CC1(C(=O)O)CCCCC1C(=O)O
InChIInChI=1S/C14H20O6/c1-3-11(15)20-9(2)8-14(13(18)19)7-5-4-6-10(14)12(16)17/h3,9-10H,1,4-8H2,2H3,(H,16,17)(H,18,19)
InChIKeyCWERFXDMOOJRLD-UHFFFAOYSA-N
XLogP1.84
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-(2-prop-2-enoyloxypropyl)cyclohexane-1,2-dicarboxylic acid 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-bis(2-prop-2-enoyloxypropyl)cyclohexyl]propan-2-yl prop-2-enoate
CID 141365621
2-hydroxybutyl prop-2-enoate;1-(2-prop-2-enoyloxyethyl)cyclohexane-1,2-dicarboxylic acid
CID 160742310
1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;prop-1-ene
CID 159439437
1-propylcyclohexane-1,2-dicarboxylic acid
CID 18175920
1-(2-methyloxetan-2-yl)propan-2-yl prop-2-enoate
CID 141251975
1-(2-carboxyhexyl)cyclohexane-1,2-dicarboxylic acid
CID 121349084
4-methyl-1-[2-(2-methylprop-2-enoyloxy)propyl]cyclohexane-1,2-dicarboxylic acid
CID 140668581
1-(4-hydroxybutyl)cyclohexane-1,2-dicarboxylic acid
CID 90859114
1-decylcyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene
CID 159036419
1-[2-(1,5-dioxo-3,4,5a,6,7,8,9,9a-octahydrobenzo[c]oxepin-3-yl)-2-(2-methylprop-2-enoyloxy)ethyl]cyclohexane-1,2-dicarboxylic acid;2-methylprop-2-enoic acid
CID 69040912
1-prop-2-enoylcyclohexane-1,2-dicarboxylic acid
CID 67543785
2-ethoxycarbonyl-1-prop-2-enoyloxycyclohexane-1-carboxylic acid
CID 150323140

Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-enoyloxypropyl)cyclohexane-1,2-dicarboxylic acid?
The IUPAC name of 1-(2-prop-2-enoyloxypropyl)cyclohexane-1,2-dicarboxylic acid (CID 56634315) is 1-(2-prop-2-enoyloxypropyl)cyclohexane-1,2-dicarboxylic acid.
What is the SMILES notation for 1-(2-prop-2-enoyloxypropyl)cyclohexane-1,2-dicarboxylic acid?
The canonical SMILES for 1-(2-prop-2-enoyloxypropyl)cyclohexane-1,2-dicarboxylic acid is C=CC(=O)OC(C)CC1(C(=O)O)CCCCC1C(=O)O.
What is the InChIKey of 1-(2-prop-2-enoyloxypropyl)cyclohexane-1,2-dicarboxylic acid?
The InChIKey is CWERFXDMOOJRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O6/c1-3-11(15)20-9(2)8-14(13(18)19)7-5-4-6-10(14)12(16)17/h3,9-10H,1,4-8H2,2H3,(H,16,17)(H,18,19).
What are the key properties of 1-(2-prop-2-enoyloxypropyl)cyclohexane-1,2-dicarboxylic acid?
1-(2-prop-2-enoyloxypropyl)cyclohexane-1,2-dicarboxylic acid has a molecular weight of 284.31 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-enoyloxypropyl)cyclohexane-1,2-dicarboxylic acid is sourced from PubChem (CID 56634315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).