bis(prop-2-enyl) cyclohexane-1,3-dicarboxylate

C14H20O4 — CID 22715247

IUPACbis(prop-2-enyl) cyclohexane-1,3-dicarboxylate
SMILESC=CCOC(=O)C1CCCC(C(=O)OCC=C)C1
InChIInChI=1S/C14H20O4/c1-3-8-17-13(15)11-6-5-7-12(10-11)14(16)18-9-4-2/h3-4,11-12H,1-2,5-10H2
InChIKeyZMRHXMXYNUWCDA-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.25
Rot. Bonds6

About bis(prop-2-enyl) cyclohexane-1,3-dicarboxylate

bis(prop-2-enyl) cyclohexane-1,3-dicarboxylate (PubChem CID 22715247) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is bis(prop-2-enyl) cyclohexane-1,3-dicarboxylate.

Molecular Properties

Compound Namebis(prop-2-enyl) cyclohexane-1,3-dicarboxylate
PubChem CID22715247
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Namebis(prop-2-enyl) cyclohexane-1,3-dicarboxylate
SMILESC=CCOC(=O)C1CCCC(C(=O)OCC=C)C1
InChIInChI=1S/C14H20O4/c1-3-8-17-13(15)11-6-5-7-12(10-11)14(16)18-9-4-2/h3-4,11-12H,1-2,5-10H2
InChIKeyZMRHXMXYNUWCDA-UHFFFAOYSA-N
XLogP2.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid
CID 66952306
prop-2-enyl cyclododecanecarboxylate
CID 139624721
4-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid
CID 66952596
2-oxoethyl cyclobutanecarboxylate
CID 155591676
prop-2-enyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 87574212
prop-2-enyl 1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carboxylate
CID 87401609
prop-2-enyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride
CID 69033800
oxiran-2-ylmethyl 3-ethenylcyclohexane-1-carboxylate
CID 135321897
prop-2-enyl 3-methylcyclohept-3-ene-1-carboxylate
CID 68784824
2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethyl cyclohexanecarboxylate
CID 70391446
prop-2-enyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 78832432
bis(prop-2-enyl) 4-methylcyclohexane-1,2-dicarboxylate
CID 21184997

Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) cyclohexane-1,3-dicarboxylate?
The IUPAC name of bis(prop-2-enyl) cyclohexane-1,3-dicarboxylate (CID 22715247) is bis(prop-2-enyl) cyclohexane-1,3-dicarboxylate.
What is the SMILES notation for bis(prop-2-enyl) cyclohexane-1,3-dicarboxylate?
The canonical SMILES for bis(prop-2-enyl) cyclohexane-1,3-dicarboxylate is C=CCOC(=O)C1CCCC(C(=O)OCC=C)C1.
What is the InChIKey of bis(prop-2-enyl) cyclohexane-1,3-dicarboxylate?
The InChIKey is ZMRHXMXYNUWCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-3-8-17-13(15)11-6-5-7-12(10-11)14(16)18-9-4-2/h3-4,11-12H,1-2,5-10H2.
What are the key properties of bis(prop-2-enyl) cyclohexane-1,3-dicarboxylate?
bis(prop-2-enyl) cyclohexane-1,3-dicarboxylate has a molecular weight of 252.31 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) cyclohexane-1,3-dicarboxylate is sourced from PubChem (CID 22715247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).