[5-hydroxy-3-(2-hydroxyethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl] prop-2-enoate

C15H24O4 — CID 155094377

IUPAC[5-hydroxy-3-(2-hydroxyethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl] prop-2-enoate
SMILESC=CC(=O)OC12CCCC(O)(CC(C)(CCO)C1)C2
InChIInChI=1S/C15H24O4/c1-3-12(17)19-15-6-4-5-14(18,11-15)9-13(2,10-15)7-8-16/h3,16,18H,1,4-11H2,2H3
InChIKeyISXROIDARKNQAH-UHFFFAOYSA-N
MW268.35 g/mol
LogP1.94
Rot. Bonds4

About [5-hydroxy-3-(2-hydroxyethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl] prop-2-enoate

[5-hydroxy-3-(2-hydroxyethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl] prop-2-enoate (PubChem CID 155094377) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is [5-hydroxy-3-(2-hydroxyethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl] prop-2-enoate.

Molecular Properties

Compound Name[5-hydroxy-3-(2-hydroxyethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl] prop-2-enoate
PubChem CID155094377
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name[5-hydroxy-3-(2-hydroxyethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl] prop-2-enoate
SMILESC=CC(=O)OC12CCCC(O)(CC(C)(CCO)C1)C2
InChIInChI=1S/C15H24O4/c1-3-12(17)19-15-6-4-5-14(18,11-15)9-13(2,10-15)7-8-16/h3,16,18H,1,4-11H2,2H3
InChIKeyISXROIDARKNQAH-UHFFFAOYSA-N
XLogP1.94
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [5-hydroxy-3-(2-hydroxyethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl] prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1,3-diethyl-3-methylcyclohexyl) prop-2-enoate
CID 89042692
(5-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl) prop-2-enoate
CID 154537210
(3-ethoxy-5,7-dimethyl-1-adamantyl) prop-2-enoate
CID 58013619
(1-ethenylcyclopropyl) prop-2-enoate
CID 22991067
[3,5-bis(2-hydroxyethoxy)-1-adamantyl] prop-2-enoate
CID 70171220
1-bicyclo[3.3.2]decanyl prop-2-enoate
CID 164546503
1-bicyclo[4.4.3]tridecanyl prop-2-enoate
CID 169221780
butyl 3-hydroxy-5-prop-2-enoyloxyadamantane-1-carboxylate
CID 22986505
(1-propan-2-ylcyclobutyl) prop-2-enoate
CID 141276089
(1-propylcyclononyl) prop-2-enoate
CID 141276110
(1,2,2-trimethylcyclooctyl) prop-2-enoate
CID 164546648
1-bicyclo[7.2.1]dodecanyl prop-2-enoate
CID 169221867

Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-3-(2-hydroxyethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl] prop-2-enoate?
The IUPAC name of [5-hydroxy-3-(2-hydroxyethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl] prop-2-enoate (CID 155094377) is [5-hydroxy-3-(2-hydroxyethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl] prop-2-enoate.
What is the SMILES notation for [5-hydroxy-3-(2-hydroxyethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl] prop-2-enoate?
The canonical SMILES for [5-hydroxy-3-(2-hydroxyethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl] prop-2-enoate is C=CC(=O)OC12CCCC(O)(CC(C)(CCO)C1)C2.
What is the InChIKey of [5-hydroxy-3-(2-hydroxyethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl] prop-2-enoate?
The InChIKey is ISXROIDARKNQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-3-12(17)19-15-6-4-5-14(18,11-15)9-13(2,10-15)7-8-16/h3,16,18H,1,4-11H2,2H3.
What are the key properties of [5-hydroxy-3-(2-hydroxyethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl] prop-2-enoate?
[5-hydroxy-3-(2-hydroxyethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl] prop-2-enoate has a molecular weight of 268.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-3-(2-hydroxyethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl] prop-2-enoate is sourced from PubChem (CID 155094377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).