4-prop-2-enoyloxycyclohexane-1-carboxylate

C10H13O4- — CID 58108042

IUPAC4-prop-2-enoyloxycyclohexane-1-carboxylate
SMILESC=CC(=O)OC1CCC(C(=O)[O-])CC1
InChIInChI=1S/C10H14O4/c1-2-9(11)14-8-5-3-7(4-6-8)10(12)13/h2,7-8H,1,3-6H2,(H,12,13)/p-1
InChIKeyKIGNMHXYUIBIQN-UHFFFAOYSA-M
MW197.21 g/mol
LogP0.02
Rot. Bonds3

About 4-prop-2-enoyloxycyclohexane-1-carboxylate

4-prop-2-enoyloxycyclohexane-1-carboxylate (PubChem CID 58108042) has the molecular formula C10H13O4- and a molecular weight of 197.21 g/mol. Its IUPAC name is 4-prop-2-enoyloxycyclohexane-1-carboxylate.

Molecular Properties

Compound Name4-prop-2-enoyloxycyclohexane-1-carboxylate
PubChem CID58108042
Molecular FormulaC10H13O4-
Molecular Weight197.21 g/mol
Exact Mass197.08
IUPAC Name4-prop-2-enoyloxycyclohexane-1-carboxylate
SMILESC=CC(=O)OC1CCC(C(=O)[O-])CC1
InChIInChI=1S/C10H14O4/c1-2-9(11)14-8-5-3-7(4-6-8)10(12)13/h2,7-8H,1,3-6H2,(H,12,13)/p-1
InChIKeyKIGNMHXYUIBIQN-UHFFFAOYSA-M
XLogP0.02
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 4-[2-(trifluoromethyl)prop-2-enoyloxy]cyclohexane-1-carboxylate
CID 58758068
(4-ethylcyclohexyl) 4-[(E)-but-2-enoyl]oxycyclohexane-1-carboxylate
CID 18658321
(4-methylcyclohexyl) 4-[(E)-but-2-enoyl]oxycyclohexane-1-carboxylate
CID 18658326
4-[(E)-but-2-enoyl]oxycyclohexane-1-carboxylic acid
CID 20098006
Prop-2-enyl 4-(3-oxobutanoyloxy)cyclohexane-1-carboxylate
CID 20260696
[4-(Prop-2-enoyloxymethyl)cyclohexyl] 4-(prop-2-enoyloxymethyl)cyclohexane-1-carboxylate
CID 21044800
4-(2-Methylprop-2-enoyloxy)cyclohexane-1-carboxylic acid
CID 23295551
(7-Oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate
CID 23450573
(4-Ethylcyclohexyl) 4-but-2-enoyloxycyclohexane-1-carboxylate
CID 54186040
(4-Methylcyclohexyl) 4-but-2-enoyloxycyclohexane-1-carboxylate
CID 54556981
[4-(2-Methylbutyl)cyclohexyl] 4-(6-prop-2-enoyloxyhexoxy)cyclohexane-1-carboxylate
CID 57661259
(4-Methoxycyclohexyl) 4-(6-prop-2-enoyloxyhexoxy)cyclohexane-1-carboxylate
CID 57661262

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoyloxycyclohexane-1-carboxylate?
The IUPAC name of 4-prop-2-enoyloxycyclohexane-1-carboxylate (CID 58108042) is 4-prop-2-enoyloxycyclohexane-1-carboxylate.
What is the SMILES notation for 4-prop-2-enoyloxycyclohexane-1-carboxylate?
The canonical SMILES for 4-prop-2-enoyloxycyclohexane-1-carboxylate is C=CC(=O)OC1CCC(C(=O)[O-])CC1.
What is the InChIKey of 4-prop-2-enoyloxycyclohexane-1-carboxylate?
The InChIKey is KIGNMHXYUIBIQN-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H14O4/c1-2-9(11)14-8-5-3-7(4-6-8)10(12)13/h2,7-8H,1,3-6H2,(H,12,13)/p-1.
What are the key properties of 4-prop-2-enoyloxycyclohexane-1-carboxylate?
4-prop-2-enoyloxycyclohexane-1-carboxylate has a molecular weight of 197.21 g/mol, XLogP of 0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoyloxycyclohexane-1-carboxylate is sourced from PubChem (CID 58108042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).