bis(3-methylbut-2-enyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate

C17H24O4 — CID 10946265

IUPACbis(3-methylbut-2-enyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate
SMILESCC(C)=CCOC(=O)C1=C(C(=O)OCC=C(C)C)C1(C)C
InChIInChI=1S/C17H24O4/c1-11(2)7-9-20-15(18)13-14(17(13,5)6)16(19)21-10-8-12(3)4/h7-8H,9-10H2,1-6H3
InChIKeyUYNYOWVSYWNNPD-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.34
Rot. Bonds6

About bis(3-methylbut-2-enyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate

bis(3-methylbut-2-enyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate (PubChem CID 10946265) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is bis(3-methylbut-2-enyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate.

Molecular Properties

Compound Namebis(3-methylbut-2-enyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate
PubChem CID10946265
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Namebis(3-methylbut-2-enyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate
SMILESCC(C)=CCOC(=O)C1=C(C(=O)OCC=C(C)C)C1(C)C
InChIInChI=1S/C17H24O4/c1-11(2)7-9-20-15(18)13-14(17(13,5)6)16(19)21-10-8-12(3)4/h7-8H,9-10H2,1-6H3
InChIKeyUYNYOWVSYWNNPD-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Glutaric acid, di(geranyl) ester
CID 22743984
1-Cyclopropene-1,2-dicarboxylic acid, 3,3-dimethyl-, dimethyl ester
CID 11816262
Glutaric acid, di(neryl) ester
CID 91694958
Glutaric acid, 3-methylbut-2-en-1-yl cis-hex-3-enyl ester
CID 91694876
Glutaric acid, hex-2-en-1-yl 3-methylbut-2-en-1-yl ester
CID 91698792
(e)-Dimethyl 2-ethylidene-3-methylpentanedioate
CID 12716291
Bis(2-methoxyethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 10956648
1-O-ethyl 5-O-methyl (4Z)-4-ethylidene-2-methylpentanedioate
CID 11564753
1-O-methyl 2-O-prop-2-enyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 11745884
Dipropyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 11746732
Ditert-butyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 15189596
Diethyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 86198726

Frequently Asked Questions

What is the IUPAC name of bis(3-methylbut-2-enyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate?
The IUPAC name of bis(3-methylbut-2-enyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate (CID 10946265) is bis(3-methylbut-2-enyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate.
What is the SMILES notation for bis(3-methylbut-2-enyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate?
The canonical SMILES for bis(3-methylbut-2-enyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate is CC(C)=CCOC(=O)C1=C(C(=O)OCC=C(C)C)C1(C)C.
What is the InChIKey of bis(3-methylbut-2-enyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate?
The InChIKey is UYNYOWVSYWNNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-11(2)7-9-20-15(18)13-14(17(13,5)6)16(19)21-10-8-12(3)4/h7-8H,9-10H2,1-6H3.
What are the key properties of bis(3-methylbut-2-enyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate?
bis(3-methylbut-2-enyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate has a molecular weight of 292.38 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methylbut-2-enyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate is sourced from PubChem (CID 10946265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).