[4-(hydroxymethyl)cyclohexyl] prop-2-enoate

C10H16O3 — CID 135259704

IUPAC[4-(hydroxymethyl)cyclohexyl] prop-2-enoate
SMILESC=CC(=O)OC1CCC(CO)CC1
InChIInChI=1S/C10H16O3/c1-2-10(12)13-9-5-3-8(7-11)4-6-9/h2,8-9,11H,1,3-7H2
InChIKeyWGRVXFWWTVGJEA-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.27
Rot. Bonds3

About [4-(hydroxymethyl)cyclohexyl] prop-2-enoate

[4-(hydroxymethyl)cyclohexyl] prop-2-enoate (PubChem CID 135259704) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is [4-(hydroxymethyl)cyclohexyl] prop-2-enoate.

Molecular Properties

Compound Name[4-(hydroxymethyl)cyclohexyl] prop-2-enoate
PubChem CID135259704
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name[4-(hydroxymethyl)cyclohexyl] prop-2-enoate
SMILESC=CC(=O)OC1CCC(CO)CC1
InChIInChI=1S/C10H16O3/c1-2-10(12)13-9-5-3-8(7-11)4-6-9/h2,8-9,11H,1,3-7H2
InChIKeyWGRVXFWWTVGJEA-UHFFFAOYSA-N
XLogP1.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.27
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

CID 159294157
CID 159294157
2-(4-prop-2-enoyloxycyclohexyl)acetic acid
CID 138732597
2-oxo-2-(4-prop-2-enoyloxycyclohexyl)oxyethanesulfonic acid
CID 166816239
[4-[diethyl-(4-prop-2-enoyloxycyclohexanecarbonyl)germyl]carbonylcyclohexyl] prop-2-enoate
CID 140658540
cyclododecyl prop-2-enoate;prop-2-enoic acid
CID 162264812
(4-decoxycyclohexyl) prop-2-enoate
CID 141237314
cyclohexyl prop-2-enoate;2-methylprop-1-ene
CID 174895643
buta-1,3-diene;[4-(hydroxymethyl)cyclohexyl]methanol
CID 87532739
(6-ethyloxan-3-yl) prop-2-enoate
CID 145009692
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl prop-2-enoate
CID 20727671
(1,1-dioxothiolan-3-yl) prop-2-enoate
CID 54012913
11-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate
CID 89290617

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)cyclohexyl] prop-2-enoate?
The IUPAC name of [4-(hydroxymethyl)cyclohexyl] prop-2-enoate (CID 135259704) is [4-(hydroxymethyl)cyclohexyl] prop-2-enoate.
What is the SMILES notation for [4-(hydroxymethyl)cyclohexyl] prop-2-enoate?
The canonical SMILES for [4-(hydroxymethyl)cyclohexyl] prop-2-enoate is C=CC(=O)OC1CCC(CO)CC1.
What is the InChIKey of [4-(hydroxymethyl)cyclohexyl] prop-2-enoate?
The InChIKey is WGRVXFWWTVGJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-10(12)13-9-5-3-8(7-11)4-6-9/h2,8-9,11H,1,3-7H2.
What are the key properties of [4-(hydroxymethyl)cyclohexyl] prop-2-enoate?
[4-(hydroxymethyl)cyclohexyl] prop-2-enoate has a molecular weight of 184.23 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)cyclohexyl] prop-2-enoate is sourced from PubChem (CID 135259704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).