diethyl 3,5-dihydro-1H-cyclopropa[f]indene-4,4-dicarboxylate

C16H18O4 — CID 15641549

IUPACdiethyl 3,5-dihydro-1H-cyclopropa[f]indene-4,4-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)Cc2cc3c(cc2C1)C3
InChIInChI=1S/C16H18O4/c1-3-19-14(17)16(15(18)20-4-2)8-12-6-10-5-11(10)7-13(12)9-16/h6-7H,3-5,8-9H2,1-2H3
InChIKeyZNIGPWWMQUDRQQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.80
Rot. Bonds4

About diethyl 3,5-dihydro-1H-cyclopropa[f]indene-4,4-dicarboxylate

diethyl 3,5-dihydro-1H-cyclopropa[f]indene-4,4-dicarboxylate (PubChem CID 15641549) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is diethyl 3,5-dihydro-1H-cyclopropa[f]indene-4,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 3,5-dihydro-1H-cyclopropa[f]indene-4,4-dicarboxylate
PubChem CID15641549
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Namediethyl 3,5-dihydro-1H-cyclopropa[f]indene-4,4-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)Cc2cc3c(cc2C1)C3
InChIInChI=1S/C16H18O4/c1-3-19-14(17)16(15(18)20-4-2)8-12-6-10-5-11(10)7-13(12)9-16/h6-7H,3-5,8-9H2,1-2H3
InChIKeyZNIGPWWMQUDRQQ-UHFFFAOYSA-N
XLogP1.80
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.80
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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Related Compounds

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triethyl 1,3-dihydroindene-2,2,5-tricarboxylate
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hexaethyl tetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene-3,3,11,11,19,19-hexacarboxylate
CID 15782308
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diethyl 4,7-dioxo-1,3-dihydroindene-2,2-dicarboxylate
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diethyl 2-propan-2-yl-3-propan-2-ylimino-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate
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ethyl 2-acetyl-5-cyclopenta-2,4-dien-1-yl-1,3-dihydroindene-2-carboxylate
CID 12060096
diethyl 6-bromo-1,3-dihydrophenalene-2,2-dicarboxylate
CID 70405514
diethyl (11E)-tricyclo[12.3.1.15,9]nonadeca-1(17),5,7,9(19),11,14(18),15-heptaene-3,3-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of diethyl 3,5-dihydro-1H-cyclopropa[f]indene-4,4-dicarboxylate?
The IUPAC name of diethyl 3,5-dihydro-1H-cyclopropa[f]indene-4,4-dicarboxylate (CID 15641549) is diethyl 3,5-dihydro-1H-cyclopropa[f]indene-4,4-dicarboxylate.
What is the SMILES notation for diethyl 3,5-dihydro-1H-cyclopropa[f]indene-4,4-dicarboxylate?
The canonical SMILES for diethyl 3,5-dihydro-1H-cyclopropa[f]indene-4,4-dicarboxylate is CCOC(=O)C1(C(=O)OCC)Cc2cc3c(cc2C1)C3.
What is the InChIKey of diethyl 3,5-dihydro-1H-cyclopropa[f]indene-4,4-dicarboxylate?
The InChIKey is ZNIGPWWMQUDRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-3-19-14(17)16(15(18)20-4-2)8-12-6-10-5-11(10)7-13(12)9-16/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of diethyl 3,5-dihydro-1H-cyclopropa[f]indene-4,4-dicarboxylate?
diethyl 3,5-dihydro-1H-cyclopropa[f]indene-4,4-dicarboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3,5-dihydro-1H-cyclopropa[f]indene-4,4-dicarboxylate is sourced from PubChem (CID 15641549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).