prop-2-enyl 4-but-3-enoyloxycyclohexane-1-carboxylate

C14H20O4 — CID 59080116

IUPACprop-2-enyl 4-but-3-enoyloxycyclohexane-1-carboxylate
SMILESC=CCOC(=O)C1CCC(OC(=O)CC=C)CC1
InChIInChI=1S/C14H20O4/c1-3-5-13(15)18-12-8-6-11(7-9-12)14(16)17-10-4-2/h3-4,11-12H,1-2,5-10H2
InChIKeyBUQVXCIAUFKPIC-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.39
Rot. Bonds6

About prop-2-enyl 4-but-3-enoyloxycyclohexane-1-carboxylate

prop-2-enyl 4-but-3-enoyloxycyclohexane-1-carboxylate (PubChem CID 59080116) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is prop-2-enyl 4-but-3-enoyloxycyclohexane-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-but-3-enoyloxycyclohexane-1-carboxylate
PubChem CID59080116
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Nameprop-2-enyl 4-but-3-enoyloxycyclohexane-1-carboxylate
SMILESC=CCOC(=O)C1CCC(OC(=O)CC=C)CC1
InChIInChI=1S/C14H20O4/c1-3-5-13(15)18-12-8-6-11(7-9-12)14(16)17-10-4-2/h3-4,11-12H,1-2,5-10H2
InChIKeyBUQVXCIAUFKPIC-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
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

Cyclohexanecarboxylic acid, 4-methoxy-, oct-3-en-2-yl ester
CID 91697646
Glutaric acid, but-3-en-2-yl cyclohexylmethyl ester
CID 91705698
Glutaric acid, hexa-1,5-dien-3-yl cyclohexylmethyl ester
CID 91707077
Prop-2-enyl 4-(3-oxobutanoyloxy)cyclohexane-1-carboxylate
CID 20260696
4-(2-Methylprop-2-enoyloxy)cyclohexane-1-carboxylate
CID 58108032
4-Prop-2-enoyloxycyclohexane-1-carboxylate
CID 58108042
4-Prop-2-enoyloxycyclohexane-1-carboxylic acid
CID 58108043
Prop-2-enyl 4-(prop-2-enoxymethoxy)cyclohexane-1-carboxylate
CID 59080115
Methyl 4-(6-prop-2-enoyloxyhexoxy)cyclohexane-1-carboxylate
CID 59197032
Prop-2-enyl 4-hydroxycyclohexane-1-carboxylate
CID 68126654
Amino 4-prop-2-enoyloxycyclohexane-1-carboxylate
CID 68306278
4-Allyloxy-cyclohexanecarboxylic acid
CID 84009697

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-but-3-enoyloxycyclohexane-1-carboxylate?
The IUPAC name of prop-2-enyl 4-but-3-enoyloxycyclohexane-1-carboxylate (CID 59080116) is prop-2-enyl 4-but-3-enoyloxycyclohexane-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-but-3-enoyloxycyclohexane-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-but-3-enoyloxycyclohexane-1-carboxylate is C=CCOC(=O)C1CCC(OC(=O)CC=C)CC1.
What is the InChIKey of prop-2-enyl 4-but-3-enoyloxycyclohexane-1-carboxylate?
The InChIKey is BUQVXCIAUFKPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-3-5-13(15)18-12-8-6-11(7-9-12)14(16)17-10-4-2/h3-4,11-12H,1-2,5-10H2.
What are the key properties of prop-2-enyl 4-but-3-enoyloxycyclohexane-1-carboxylate?
prop-2-enyl 4-but-3-enoyloxycyclohexane-1-carboxylate has a molecular weight of 252.31 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-but-3-enoyloxycyclohexane-1-carboxylate is sourced from PubChem (CID 59080116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).