bis(2-methylprop-2-enyl) bicyclo[2.2.1]heptane-2,5-dicarboxylate

C17H24O4 — CID 139939081

IUPACbis(2-methylprop-2-enyl) bicyclo[2.2.1]heptane-2,5-dicarboxylate
SMILESC=C(C)COC(=O)C1CC2CC1CC2C(=O)OCC(=C)C
InChIInChI=1S/C17H24O4/c1-10(2)8-20-16(18)14-6-13-5-12(14)7-15(13)17(19)21-9-11(3)4/h12-15H,1,3,5-9H2,2,4H3
InChIKeyZGRFSNVYHSKRCQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.89
Rot. Bonds6

About bis(2-methylprop-2-enyl) bicyclo[2.2.1]heptane-2,5-dicarboxylate

bis(2-methylprop-2-enyl) bicyclo[2.2.1]heptane-2,5-dicarboxylate (PubChem CID 139939081) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is bis(2-methylprop-2-enyl) bicyclo[2.2.1]heptane-2,5-dicarboxylate.

Molecular Properties

Compound Namebis(2-methylprop-2-enyl) bicyclo[2.2.1]heptane-2,5-dicarboxylate
PubChem CID139939081
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Namebis(2-methylprop-2-enyl) bicyclo[2.2.1]heptane-2,5-dicarboxylate
SMILESC=C(C)COC(=O)C1CC2CC1CC2C(=O)OCC(=C)C
InChIInChI=1S/C17H24O4/c1-10(2)8-20-16(18)14-6-13-5-12(14)7-15(13)17(19)21-9-11(3)4/h12-15H,1,3,5-9H2,2,4H3
InChIKeyZGRFSNVYHSKRCQ-UHFFFAOYSA-N
XLogP2.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(2-methylprop-2-enyl) bicyclo[2.2.1]heptane-2,5-dicarboxylate 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-O,2-O,4-O-tris(2-methylprop-2-enyl) 5-O-prop-2-enyl cyclohexane-1,2,4,5-tetracarboxylate
CID 22715251
2-methylprop-2-enyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 12000687
2-methylprop-2-enyl cyclohexanecarboxylate
CID 18622419
dimethyl (1R,2S,5S)-bicyclo[2.2.1]heptane-2,5-dicarboxylate
CID 174166263
ethyl 5-[2-(trifluoromethyl)prop-2-enoyloxy]bicyclo[2.2.1]heptane-2-carboxylate
CID 91376261
potassium 2-methylprop-2-enyl carbonate
CID 175917909
ethyl 5-propanoyloxybicyclo[2.2.1]heptane-2-carboxylate
CID 102096688
(Z)-3-methyl-4-(2-methylprop-2-enoxy)-4-oxobut-2-enoic acid
CID 139788326
ethyl 2-acetylcyclopropane-1-carboxylate
CID 12537328
1-O-methyl 3-O-(2-methylprop-2-enyl) propanedioate
CID 15370869
2-methylprop-2-enyl 1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 78860962
cis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate
CID 165354551

Frequently Asked Questions

What is the IUPAC name of bis(2-methylprop-2-enyl) bicyclo[2.2.1]heptane-2,5-dicarboxylate?
The IUPAC name of bis(2-methylprop-2-enyl) bicyclo[2.2.1]heptane-2,5-dicarboxylate (CID 139939081) is bis(2-methylprop-2-enyl) bicyclo[2.2.1]heptane-2,5-dicarboxylate.
What is the SMILES notation for bis(2-methylprop-2-enyl) bicyclo[2.2.1]heptane-2,5-dicarboxylate?
The canonical SMILES for bis(2-methylprop-2-enyl) bicyclo[2.2.1]heptane-2,5-dicarboxylate is C=C(C)COC(=O)C1CC2CC1CC2C(=O)OCC(=C)C.
What is the InChIKey of bis(2-methylprop-2-enyl) bicyclo[2.2.1]heptane-2,5-dicarboxylate?
The InChIKey is ZGRFSNVYHSKRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-10(2)8-20-16(18)14-6-13-5-12(14)7-15(13)17(19)21-9-11(3)4/h12-15H,1,3,5-9H2,2,4H3.
What are the key properties of bis(2-methylprop-2-enyl) bicyclo[2.2.1]heptane-2,5-dicarboxylate?
bis(2-methylprop-2-enyl) bicyclo[2.2.1]heptane-2,5-dicarboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylprop-2-enyl) bicyclo[2.2.1]heptane-2,5-dicarboxylate is sourced from PubChem (CID 139939081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).