2-cyclohexyloxycarbonylbut-3-enoic acid

C11H16O4 — CID 68511250

IUPAC2-cyclohexyloxycarbonylbut-3-enoic acid
SMILESC=CC(C(=O)O)C(=O)OC1CCCCC1
InChIInChI=1S/C11H16O4/c1-2-9(10(12)13)11(14)15-8-6-4-3-5-7-8/h2,8-9H,1,3-7H2,(H,12,13)
InChIKeySTAQYORHRXXMSY-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.75
Rot. Bonds4

About 2-cyclohexyloxycarbonylbut-3-enoic acid

2-cyclohexyloxycarbonylbut-3-enoic acid (PubChem CID 68511250) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-cyclohexyloxycarbonylbut-3-enoic acid.

Molecular Properties

Compound Name2-cyclohexyloxycarbonylbut-3-enoic acid
PubChem CID68511250
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name2-cyclohexyloxycarbonylbut-3-enoic acid
SMILESC=CC(C(=O)O)C(=O)OC1CCCCC1
InChIInChI=1S/C11H16O4/c1-2-9(10(12)13)11(14)15-8-6-4-3-5-7-8/h2,8-9H,1,3-7H2,(H,12,13)
InChIKeySTAQYORHRXXMSY-UHFFFAOYSA-N
XLogP1.75
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cyclododecyl prop-2-enyl carbonate
CID 13272703
cyclohexyl prop-2-enyl carbonate
CID 14917718
dicyclononyl carbonate
CID 139618210
cyclododecyl prop-2-enoate;prop-2-enoic acid
CID 162264812
cyclohexyl 2-aminopropanoate;ethene
CID 144654176
cycloheptyl hydrogen carbonate
CID 23179405
[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]azanium
CID 86325429
cycloheptyl 2-aminopropanoate;hydrochloride
CID 74957485
azane;cyclohexyl hydrogen carbonate
CID 67723937
cyclodecyl cyclodecyloxycarbonyloxy carbonate
CID 139793916
cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate
CID 23066096
carbonic acid;cyclohexyl 2-methylprop-2-enoate
CID 89120265

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxycarbonylbut-3-enoic acid?
The IUPAC name of 2-cyclohexyloxycarbonylbut-3-enoic acid (CID 68511250) is 2-cyclohexyloxycarbonylbut-3-enoic acid.
What is the SMILES notation for 2-cyclohexyloxycarbonylbut-3-enoic acid?
The canonical SMILES for 2-cyclohexyloxycarbonylbut-3-enoic acid is C=CC(C(=O)O)C(=O)OC1CCCCC1.
What is the InChIKey of 2-cyclohexyloxycarbonylbut-3-enoic acid?
The InChIKey is STAQYORHRXXMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-2-9(10(12)13)11(14)15-8-6-4-3-5-7-8/h2,8-9H,1,3-7H2,(H,12,13).
What are the key properties of 2-cyclohexyloxycarbonylbut-3-enoic acid?
2-cyclohexyloxycarbonylbut-3-enoic acid has a molecular weight of 212.24 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxycarbonylbut-3-enoic acid is sourced from PubChem (CID 68511250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).