dimethyl 3-[(Z)-3-hydroxy-2-methylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate

C13H18O5 — CID 135007257

IUPACdimethyl 3-[(Z)-3-hydroxy-2-methylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC=C(/C=C(/C)CO)C1
InChIInChI=1S/C13H18O5/c1-9(8-14)6-10-4-5-13(7-10,11(15)17-2)12(16)18-3/h4,6,14H,5,7-8H2,1-3H3/b9-6-
InChIKeyDDGNMGGHYMGNOU-TWGQIWQCSA-N
MW254.28 g/mol
LogP0.98
Rot. Bonds4

About dimethyl 3-[(Z)-3-hydroxy-2-methylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate

dimethyl 3-[(Z)-3-hydroxy-2-methylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate (PubChem CID 135007257) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is dimethyl 3-[(Z)-3-hydroxy-2-methylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-[(Z)-3-hydroxy-2-methylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate
PubChem CID135007257
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Namedimethyl 3-[(Z)-3-hydroxy-2-methylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC=C(/C=C(/C)CO)C1
InChIInChI=1S/C13H18O5/c1-9(8-14)6-10-4-5-13(7-10,11(15)17-2)12(16)18-3/h4,6,14H,5,7-8H2,1-3H3/b9-6-
InChIKeyDDGNMGGHYMGNOU-TWGQIWQCSA-N
XLogP0.98
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Diethyl 3-(2-methylprop-1-enyl)cyclopent-3-ene-1,1-dicarboxylate
CID 11817979
diethyl 3-[(E)-2-methylhex-1-enyl]cyclopent-3-ene-1,1-dicarboxylate
CID 101198579
Diethyl 3-ethenylcyclopent-3-ene-1,1-dicarboxylate
CID 15827924
Dimethyl 3-(2-methylprop-1-enyl)cyclopent-3-ene-1,1-dicarboxylate
CID 11715653
dimethyl 3-[(E)-prop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate
CID 101374407
Dimethyl 3-(3-methylbuta-1,2-dienyl)cyclopent-3-ene-1,1-dicarboxylate
CID 101738275
Diethyl 3-(3-methylbuta-1,2-dienyl)cyclopent-3-ene-1,1-dicarboxylate
CID 101767169
(2Z)-2-[(2E)-2-ethylidene-4,4-bis(methoxycarbonyl)cyclopentylidene]propanoic acid
CID 132554951
dimethyl 3-[(1Z)-2,6-dimethylhepta-1,5-dienyl]cyclopent-3-ene-1,1-dicarboxylate
CID 135007259
(2E)-2-[(2E)-2-ethylidene-4,4-bis(methoxycarbonyl)cyclopentylidene]propanoic acid
CID 139048349
luteodiene A
CID 172429336
tetramethyl (4E,10E,12E)-14-hydroxy-5-methyltetradeca-4,10,12-triene-1,1,8,8-tetracarboxylate
CID 14021620

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-[(Z)-3-hydroxy-2-methylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate?
The IUPAC name of dimethyl 3-[(Z)-3-hydroxy-2-methylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate (CID 135007257) is dimethyl 3-[(Z)-3-hydroxy-2-methylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 3-[(Z)-3-hydroxy-2-methylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate?
The canonical SMILES for dimethyl 3-[(Z)-3-hydroxy-2-methylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate is COC(=O)C1(C(=O)OC)CC=C(/C=C(/C)CO)C1.
What is the InChIKey of dimethyl 3-[(Z)-3-hydroxy-2-methylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate?
The InChIKey is DDGNMGGHYMGNOU-TWGQIWQCSA-N. The full InChI is InChI=1S/C13H18O5/c1-9(8-14)6-10-4-5-13(7-10,11(15)17-2)12(16)18-3/h4,6,14H,5,7-8H2,1-3H3/b9-6-.
What are the key properties of dimethyl 3-[(Z)-3-hydroxy-2-methylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate?
dimethyl 3-[(Z)-3-hydroxy-2-methylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate has a molecular weight of 254.28 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-[(Z)-3-hydroxy-2-methylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate is sourced from PubChem (CID 135007257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).