dipropan-2-yl bicyclo[2.2.1]hept-2-ene-1,2-dicarboxylate

C15H22O4 — CID 139806757

IUPACdipropan-2-yl bicyclo[2.2.1]hept-2-ene-1,2-dicarboxylate
SMILESCC(C)OC(=O)C1=CC2CCC1(C(=O)OC(C)C)C2
InChIInChI=1S/C15H22O4/c1-9(2)18-13(16)12-7-11-5-6-15(12,8-11)14(17)19-10(3)4/h7,9-11H,5-6,8H2,1-4H3
InChIKeySBQBBXSSSAYZQM-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.62
Rot. Bonds4

About dipropan-2-yl bicyclo[2.2.1]hept-2-ene-1,2-dicarboxylate

dipropan-2-yl bicyclo[2.2.1]hept-2-ene-1,2-dicarboxylate (PubChem CID 139806757) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is dipropan-2-yl bicyclo[2.2.1]hept-2-ene-1,2-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl bicyclo[2.2.1]hept-2-ene-1,2-dicarboxylate
PubChem CID139806757
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Namedipropan-2-yl bicyclo[2.2.1]hept-2-ene-1,2-dicarboxylate
SMILESCC(C)OC(=O)C1=CC2CCC1(C(=O)OC(C)C)C2
InChIInChI=1S/C15H22O4/c1-9(2)18-13(16)12-7-11-5-6-15(12,8-11)14(17)19-10(3)4/h7,9-11H,5-6,8H2,1-4H3
InChIKeySBQBBXSSSAYZQM-UHFFFAOYSA-N
XLogP2.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis(oxiran-2-ylmethyl) bicyclo[2.2.1]hept-2-ene-1,2-dicarboxylate
CID 126511446
1-(1-acetyl-2-bicyclo[2.2.1]hept-2-enyl)ethanone
CID 68854614
bicyclo[2.2.1]hept-2-ene-1,2-dicarboxamide
CID 87974900
bis(2,6-dioxo-3,5-dioxa-4-aluminatricyclo[7.2.1.01,7]dodec-7-en-4-yl) bicyclo[2.2.1]hept-2-ene-1,2-dicarboxylate
CID 141375193
methyl (1S,4S)-6-chloro-6-cyano-1-methylbicyclo[2.2.2]oct-2-ene-2-carboxylate
CID 10633754
dipropan-2-yl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,15-dicarboxylate
CID 14173409
CID 50923065
CID 50923065
propan-2-yl 1-(18O)oxidanyl-2-oxocyclopentane-1-carboxylate
CID 102165718
propan-2-yl 1-(3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbonyl)oxynaphthalene-2-carboxylate
CID 4861872
propan-2-yl 2-amino-1-methylcyclopentane-1-carboxylate
CID 82762646
dipropan-2-yl cyclopent-2-ene-1,1-dicarboxylate
CID 140996022
[1-(hydroxymethyl)-2-bicyclo[2.2.1]hept-2-enyl]methanol;bis(4-sulfanylpentanoic acid)
CID 87480148

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl bicyclo[2.2.1]hept-2-ene-1,2-dicarboxylate?
The IUPAC name of dipropan-2-yl bicyclo[2.2.1]hept-2-ene-1,2-dicarboxylate (CID 139806757) is dipropan-2-yl bicyclo[2.2.1]hept-2-ene-1,2-dicarboxylate.
What is the SMILES notation for dipropan-2-yl bicyclo[2.2.1]hept-2-ene-1,2-dicarboxylate?
The canonical SMILES for dipropan-2-yl bicyclo[2.2.1]hept-2-ene-1,2-dicarboxylate is CC(C)OC(=O)C1=CC2CCC1(C(=O)OC(C)C)C2.
What is the InChIKey of dipropan-2-yl bicyclo[2.2.1]hept-2-ene-1,2-dicarboxylate?
The InChIKey is SBQBBXSSSAYZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-9(2)18-13(16)12-7-11-5-6-15(12,8-11)14(17)19-10(3)4/h7,9-11H,5-6,8H2,1-4H3.
What are the key properties of dipropan-2-yl bicyclo[2.2.1]hept-2-ene-1,2-dicarboxylate?
dipropan-2-yl bicyclo[2.2.1]hept-2-ene-1,2-dicarboxylate has a molecular weight of 266.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl bicyclo[2.2.1]hept-2-ene-1,2-dicarboxylate is sourced from PubChem (CID 139806757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).