2-(4-prop-2-enoyloxycyclohexyl)acetic acid

C11H16O4 — CID 138732597

IUPAC2-(4-prop-2-enoyloxycyclohexyl)acetic acid
SMILESC=CC(=O)OC1CCC(CC(=O)O)CC1
InChIInChI=1S/C11H16O4/c1-2-11(14)15-9-5-3-8(4-6-9)7-10(12)13/h2,8-9H,1,3-7H2,(H,12,13)
InChIKeyNXURPNMZCBVPOA-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.75
Rot. Bonds4

About 2-(4-prop-2-enoyloxycyclohexyl)acetic acid

2-(4-prop-2-enoyloxycyclohexyl)acetic acid (PubChem CID 138732597) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-(4-prop-2-enoyloxycyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(4-prop-2-enoyloxycyclohexyl)acetic acid
PubChem CID138732597
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name2-(4-prop-2-enoyloxycyclohexyl)acetic acid
SMILESC=CC(=O)OC1CCC(CC(=O)O)CC1
InChIInChI=1S/C11H16O4/c1-2-11(14)15-9-5-3-8(4-6-9)7-10(12)13/h2,8-9H,1,3-7H2,(H,12,13)
InChIKeyNXURPNMZCBVPOA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[4-(hydroxymethyl)cyclohexyl] prop-2-enoate
CID 135259704
CID 159294157
CID 159294157
cyclododecyl prop-2-enoate;prop-2-enoic acid
CID 162264812
2-(4-prop-2-enylcyclohexyl)acetic acid
CID 67843737
2-oxo-2-(4-prop-2-enoyloxycyclohexyl)oxyethanesulfonic acid
CID 166816239
[4-[diethyl-(4-prop-2-enoyloxycyclohexanecarbonyl)germyl]carbonylcyclohexyl] prop-2-enoate
CID 140658540
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl prop-2-enoate
CID 20727671
(4-decoxycyclohexyl) prop-2-enoate
CID 141237314
cyclohexyl prop-2-enoate;2-methylprop-1-ene
CID 174895643
3-oxo-3-(4-prop-2-enylcyclohexyl)oxypropanoic acid
CID 70365195
1-cyclopropylbut-3-en-2-one
CID 66652503
(4-ethyl-3-propylcyclohexyl) prop-2-enoate
CID 166969439

Frequently Asked Questions

What is the IUPAC name of 2-(4-prop-2-enoyloxycyclohexyl)acetic acid?
The IUPAC name of 2-(4-prop-2-enoyloxycyclohexyl)acetic acid (CID 138732597) is 2-(4-prop-2-enoyloxycyclohexyl)acetic acid.
What is the SMILES notation for 2-(4-prop-2-enoyloxycyclohexyl)acetic acid?
The canonical SMILES for 2-(4-prop-2-enoyloxycyclohexyl)acetic acid is C=CC(=O)OC1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-(4-prop-2-enoyloxycyclohexyl)acetic acid?
The InChIKey is NXURPNMZCBVPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-2-11(14)15-9-5-3-8(4-6-9)7-10(12)13/h2,8-9H,1,3-7H2,(H,12,13).
What are the key properties of 2-(4-prop-2-enoyloxycyclohexyl)acetic acid?
2-(4-prop-2-enoyloxycyclohexyl)acetic 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-(4-prop-2-enoyloxycyclohexyl)acetic acid is sourced from PubChem (CID 138732597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).