1-prop-2-enoyloxy-2-propoxycarbonylcyclohexane-1-carboxylic acid

C14H20O6 — CID 174501872

IUPAC1-prop-2-enoyloxy-2-propoxycarbonylcyclohexane-1-carboxylic acid
SMILESC=CC(=O)OC1(C(=O)O)CCCCC1C(=O)OCCC
InChIInChI=1S/C14H20O6/c1-3-9-19-12(16)10-7-5-6-8-14(10,13(17)18)20-11(15)4-2/h4,10H,2-3,5-9H2,1H3,(H,17,18)
InChIKeyZHEQZBUQYFXOSO-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.68
Rot. Bonds6

About 1-prop-2-enoyloxy-2-propoxycarbonylcyclohexane-1-carboxylic acid

1-prop-2-enoyloxy-2-propoxycarbonylcyclohexane-1-carboxylic acid (PubChem CID 174501872) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-prop-2-enoyloxy-2-propoxycarbonylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-prop-2-enoyloxy-2-propoxycarbonylcyclohexane-1-carboxylic acid
PubChem CID174501872
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name1-prop-2-enoyloxy-2-propoxycarbonylcyclohexane-1-carboxylic acid
SMILESC=CC(=O)OC1(C(=O)O)CCCCC1C(=O)OCCC
InChIInChI=1S/C14H20O6/c1-3-9-19-12(16)10-7-5-6-8-14(10,13(17)18)20-11(15)4-2/h4,10H,2-3,5-9H2,1H3,(H,17,18)
InChIKeyZHEQZBUQYFXOSO-UHFFFAOYSA-N
XLogP1.68
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxycarbonyl-1-prop-2-enoyloxycyclohexane-1-carboxylic acid
CID 150323140
2-O-dodecyl 1-O-nonyl 1-prop-2-enoyloxycyclohexane-1,2-dicarboxylate
CID 174499313
2-O-dodecyl 1-O-heptyl 1-prop-2-enoyloxycyclohexane-1,2-dicarboxylate
CID 174485179
1-O-nonyl 2-O-propan-2-yl 1-prop-2-enoyloxycyclohexane-1,2-dicarboxylate
CID 174499286
1-O-octyl 2-O-propan-2-yl 1-prop-2-enoyloxycyclohexane-1,2-dicarboxylate
CID 174485167
propyl 2,2-dimethylcyclopentane-1-carboxylate
CID 104918779
diethyl 1-propylcyclohexane-1,2-dicarboxylate
CID 146562592
carbamic acid;propyl prop-2-enoate
CID 87571569
dioctyl 1-methylcyclohexane-1,2-dicarboxylate
CID 20552029
(1-propylcyclononyl) prop-2-enoate
CID 141276110
2-hydroxybutyl prop-2-enoate;1-(2-prop-2-enoyloxyethyl)cyclohexane-1,2-dicarboxylic acid
CID 160742310
2,3-di(propan-2-yl)-1-prop-2-enoyloxycyclopentane-1-carboxylic acid
CID 23547713

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoyloxy-2-propoxycarbonylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-prop-2-enoyloxy-2-propoxycarbonylcyclohexane-1-carboxylic acid (CID 174501872) is 1-prop-2-enoyloxy-2-propoxycarbonylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-prop-2-enoyloxy-2-propoxycarbonylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-prop-2-enoyloxy-2-propoxycarbonylcyclohexane-1-carboxylic acid is C=CC(=O)OC1(C(=O)O)CCCCC1C(=O)OCCC.
What is the InChIKey of 1-prop-2-enoyloxy-2-propoxycarbonylcyclohexane-1-carboxylic acid?
The InChIKey is ZHEQZBUQYFXOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O6/c1-3-9-19-12(16)10-7-5-6-8-14(10,13(17)18)20-11(15)4-2/h4,10H,2-3,5-9H2,1H3,(H,17,18).
What are the key properties of 1-prop-2-enoyloxy-2-propoxycarbonylcyclohexane-1-carboxylic acid?
1-prop-2-enoyloxy-2-propoxycarbonylcyclohexane-1-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoyloxy-2-propoxycarbonylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 174501872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).