(8-ethyl-8-tricyclo[5.3.1.04,9]undecanyl) 2-methylprop-2-enoate

C17H26O2 — CID 148584656

IUPAC(8-ethyl-8-tricyclo[5.3.1.04,9]undecanyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(CC)C2CCC3CCC(C2)CC31
InChIInChI=1S/C17H26O2/c1-4-17(19-16(18)11(2)3)14-8-7-13-6-5-12(9-14)10-15(13)17/h12-15H,2,4-10H2,1,3H3
InChIKeyMZLHWAYQTLCLLX-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.10
Rot. Bonds3

About (8-ethyl-8-tricyclo[5.3.1.04,9]undecanyl) 2-methylprop-2-enoate

(8-ethyl-8-tricyclo[5.3.1.04,9]undecanyl) 2-methylprop-2-enoate (PubChem CID 148584656) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (8-ethyl-8-tricyclo[5.3.1.04,9]undecanyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(8-ethyl-8-tricyclo[5.3.1.04,9]undecanyl) 2-methylprop-2-enoate
PubChem CID148584656
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(8-ethyl-8-tricyclo[5.3.1.04,9]undecanyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(CC)C2CCC3CCC(C2)CC31
InChIInChI=1S/C17H26O2/c1-4-17(19-16(18)11(2)3)14-8-7-13-6-5-12(9-14)10-15(13)17/h12-15H,2,4-10H2,1,3H3
InChIKeyMZLHWAYQTLCLLX-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (8-ethyl-8-tricyclo[5.3.1.04,9]undecanyl) 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

(2,3-diethyl-2-bicyclo[3.3.1]nonanyl) 2-methylprop-2-enoate
CID 66612867
[(2S)-2-ethyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 101419322
(1,2-diethyl-3,3a,4,5,6,7,8,8a-octahydro-2H-azulen-1-yl) 2-methylprop-2-enoate
CID 164546618
[2-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-4-methylcyclopentyl] 2-methylprop-2-enoate
CID 20700748
[1-(2-bicyclo[2.2.1]heptanyl)-2-propylcyclohexyl] 2-methylprop-2-enoate
CID 122533352
1-tricyclo[3.2.1.02,7]octanyl 2-methylprop-2-enoate
CID 155725185
[4-(2-bicyclo[2.2.1]heptanyl)spiro[4.4]nonan-4-yl] 2-methylprop-2-enoate
CID 122533403
[2-(4,4-dimethyl-2-oxopentyl)-2-adamantyl] 2-methylprop-2-enoate
CID 59999980
(2,2-dihydroxy-1-adamantyl) 2-methylprop-2-enoate
CID 66666665
[2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;(2-cyclohexyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-2-adamantyl) prop-2-enoate
CID 160667012
(2'-methyl-2,5'-spirobi[bicyclo[2.2.1]heptane]-2'-yl) 2-methylprop-2-enoate
CID 20700758
(2-ethyl-2-adamantyl) 2-(2-methylprop-2-enoyloxy)butanoate
CID 69439306

Frequently Asked Questions

What is the IUPAC name of (8-ethyl-8-tricyclo[5.3.1.04,9]undecanyl) 2-methylprop-2-enoate?
The IUPAC name of (8-ethyl-8-tricyclo[5.3.1.04,9]undecanyl) 2-methylprop-2-enoate (CID 148584656) is (8-ethyl-8-tricyclo[5.3.1.04,9]undecanyl) 2-methylprop-2-enoate.
What is the SMILES notation for (8-ethyl-8-tricyclo[5.3.1.04,9]undecanyl) 2-methylprop-2-enoate?
The canonical SMILES for (8-ethyl-8-tricyclo[5.3.1.04,9]undecanyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(CC)C2CCC3CCC(C2)CC31.
What is the InChIKey of (8-ethyl-8-tricyclo[5.3.1.04,9]undecanyl) 2-methylprop-2-enoate?
The InChIKey is MZLHWAYQTLCLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-4-17(19-16(18)11(2)3)14-8-7-13-6-5-12(9-14)10-15(13)17/h12-15H,2,4-10H2,1,3H3.
What are the key properties of (8-ethyl-8-tricyclo[5.3.1.04,9]undecanyl) 2-methylprop-2-enoate?
(8-ethyl-8-tricyclo[5.3.1.04,9]undecanyl) 2-methylprop-2-enoate has a molecular weight of 262.39 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-ethyl-8-tricyclo[5.3.1.04,9]undecanyl) 2-methylprop-2-enoate is sourced from PubChem (CID 148584656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).