dimethyl 7-cyclopropyl-6-ethenylspiro[3,4-dihydro-1H-indene-5,1'-cyclopropane]-2,2-dicarboxylate

C20H24O4 — CID 11484264

IUPACdimethyl 7-cyclopropyl-6-ethenylspiro[3,4-dihydro-1H-indene-5,1'-cyclopropane]-2,2-dicarboxylate
SMILESC=CC1=C(C2CC2)C2=C(CC13CC3)CC(C(=O)OC)(C(=O)OC)C2
InChIInChI=1S/C20H24O4/c1-4-15-16(12-5-6-12)14-11-20(17(21)23-2,18(22)24-3)10-13(14)9-19(15)7-8-19/h4,12H,1,5-11H2,2-3H3
InChIKeyQVGONHXHNKZIJQ-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.49
Rot. Bonds4

About dimethyl 7-cyclopropyl-6-ethenylspiro[3,4-dihydro-1H-indene-5,1'-cyclopropane]-2,2-dicarboxylate

dimethyl 7-cyclopropyl-6-ethenylspiro[3,4-dihydro-1H-indene-5,1'-cyclopropane]-2,2-dicarboxylate (PubChem CID 11484264) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is dimethyl 7-cyclopropyl-6-ethenylspiro[3,4-dihydro-1H-indene-5,1'-cyclopropane]-2,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 7-cyclopropyl-6-ethenylspiro[3,4-dihydro-1H-indene-5,1'-cyclopropane]-2,2-dicarboxylate
PubChem CID11484264
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Namedimethyl 7-cyclopropyl-6-ethenylspiro[3,4-dihydro-1H-indene-5,1'-cyclopropane]-2,2-dicarboxylate
SMILESC=CC1=C(C2CC2)C2=C(CC13CC3)CC(C(=O)OC)(C(=O)OC)C2
InChIInChI=1S/C20H24O4/c1-4-15-16(12-5-6-12)14-11-20(17(21)23-2,18(22)24-3)10-13(14)9-19(15)7-8-19/h4,12H,1,5-11H2,2-3H3
InChIKeyQVGONHXHNKZIJQ-UHFFFAOYSA-N
XLogP3.49
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 7-cyclopropyl-6-ethenylspiro[3,4-dihydro-1H-indene-5,1'-cyclopropane]-2,2-dicarboxylate?
The IUPAC name of dimethyl 7-cyclopropyl-6-ethenylspiro[3,4-dihydro-1H-indene-5,1'-cyclopropane]-2,2-dicarboxylate (CID 11484264) is dimethyl 7-cyclopropyl-6-ethenylspiro[3,4-dihydro-1H-indene-5,1'-cyclopropane]-2,2-dicarboxylate.
What is the SMILES notation for dimethyl 7-cyclopropyl-6-ethenylspiro[3,4-dihydro-1H-indene-5,1'-cyclopropane]-2,2-dicarboxylate?
The canonical SMILES for dimethyl 7-cyclopropyl-6-ethenylspiro[3,4-dihydro-1H-indene-5,1'-cyclopropane]-2,2-dicarboxylate is C=CC1=C(C2CC2)C2=C(CC13CC3)CC(C(=O)OC)(C(=O)OC)C2.
What is the InChIKey of dimethyl 7-cyclopropyl-6-ethenylspiro[3,4-dihydro-1H-indene-5,1'-cyclopropane]-2,2-dicarboxylate?
The InChIKey is QVGONHXHNKZIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-4-15-16(12-5-6-12)14-11-20(17(21)23-2,18(22)24-3)10-13(14)9-19(15)7-8-19/h4,12H,1,5-11H2,2-3H3.
What are the key properties of dimethyl 7-cyclopropyl-6-ethenylspiro[3,4-dihydro-1H-indene-5,1'-cyclopropane]-2,2-dicarboxylate?
dimethyl 7-cyclopropyl-6-ethenylspiro[3,4-dihydro-1H-indene-5,1'-cyclopropane]-2,2-dicarboxylate has a molecular weight of 328.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 7-cyclopropyl-6-ethenylspiro[3,4-dihydro-1H-indene-5,1'-cyclopropane]-2,2-dicarboxylate is sourced from PubChem (CID 11484264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).