[3-bicyclo[3.3.1]nonanyl(cyclohexyl)methyl] 2-methylprop-2-enoate

C20H32O2 — CID 139393167

IUPAC[3-bicyclo[3.3.1]nonanyl(cyclohexyl)methyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C1CCCCC1)C1CC2CCCC(C2)C1
InChIInChI=1S/C20H32O2/c1-14(2)20(21)22-19(17-9-4-3-5-10-17)18-12-15-7-6-8-16(11-15)13-18/h15-19H,1,3-13H2,2H3
InChIKeyNWUQGTMCPUVGJZ-UHFFFAOYSA-N
MW304.47 g/mol
LogP5.27
Rot. Bonds4

About [3-bicyclo[3.3.1]nonanyl(cyclohexyl)methyl] 2-methylprop-2-enoate

[3-bicyclo[3.3.1]nonanyl(cyclohexyl)methyl] 2-methylprop-2-enoate (PubChem CID 139393167) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is [3-bicyclo[3.3.1]nonanyl(cyclohexyl)methyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-bicyclo[3.3.1]nonanyl(cyclohexyl)methyl] 2-methylprop-2-enoate
PubChem CID139393167
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name[3-bicyclo[3.3.1]nonanyl(cyclohexyl)methyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C1CCCCC1)C1CC2CCCC(C2)C1
InChIInChI=1S/C20H32O2/c1-14(2)20(21)22-19(17-9-4-3-5-10-17)18-12-15-7-6-8-16(11-15)13-18/h15-19H,1,3-13H2,2H3
InChIKeyNWUQGTMCPUVGJZ-UHFFFAOYSA-N
XLogP5.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3-bicyclo[3.3.1]nonanyl(cyclohexyl)methyl] 2-methylprop-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-bicyclo[3.3.1]nonanyl)prop-2-enyl 2-methylprop-2-enoate
CID 146653192
[cyclohexyl(cyclohexyloxy)methyl] 2-methylprop-2-enoate
CID 118200324
propan-2-yl 2-methylprop-2-enoate
CID 146421311
1-[1-(2-adamantyloxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 19602202
(3-propan-2-ylcyclohexyl) 2-methylprop-2-enoate
CID 118603756
1-cyclohexylsulfonylethyl 2-methylprop-2-enoate
CID 171762763
1-cyclopentyloxyethyl 2-methylprop-2-enoate
CID 68973043
(1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2-methylprop-2-enoate
CID 58445805
(2-cyclohexyl-1-adamantyl) 2-methylprop-2-enoate
CID 156808490
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
(2-cyclohexyl-2-adamantyl) 2-methylprop-2-enoate
CID 58887066
trans-dicyclohexylmethyl (1S,2S)-2-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 11120737

Frequently Asked Questions

What is the IUPAC name of [3-bicyclo[3.3.1]nonanyl(cyclohexyl)methyl] 2-methylprop-2-enoate?
The IUPAC name of [3-bicyclo[3.3.1]nonanyl(cyclohexyl)methyl] 2-methylprop-2-enoate (CID 139393167) is [3-bicyclo[3.3.1]nonanyl(cyclohexyl)methyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-bicyclo[3.3.1]nonanyl(cyclohexyl)methyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-bicyclo[3.3.1]nonanyl(cyclohexyl)methyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(C1CCCCC1)C1CC2CCCC(C2)C1.
What is the InChIKey of [3-bicyclo[3.3.1]nonanyl(cyclohexyl)methyl] 2-methylprop-2-enoate?
The InChIKey is NWUQGTMCPUVGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2/c1-14(2)20(21)22-19(17-9-4-3-5-10-17)18-12-15-7-6-8-16(11-15)13-18/h15-19H,1,3-13H2,2H3.
What are the key properties of [3-bicyclo[3.3.1]nonanyl(cyclohexyl)methyl] 2-methylprop-2-enoate?
[3-bicyclo[3.3.1]nonanyl(cyclohexyl)methyl] 2-methylprop-2-enoate has a molecular weight of 304.47 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bicyclo[3.3.1]nonanyl(cyclohexyl)methyl] 2-methylprop-2-enoate is sourced from PubChem (CID 139393167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).