4-O-cyclopentyl 1-O-methyl (Z)-but-2-enedioate

C10H14O4 — CID 66902675

IUPAC4-O-cyclopentyl 1-O-methyl (Z)-but-2-enedioate
SMILESCOC(=O)/C=C\C(=O)OC1CCCC1
InChIInChI=1S/C10H14O4/c1-13-9(11)6-7-10(12)14-8-4-2-3-5-8/h6-8H,2-5H2,1H3/b7-6-
InChIKeyJDOSXRPCAZSJFB-SREVYHEPSA-N
MW198.22 g/mol
LogP1.20
Rot. Bonds3

About 4-O-cyclopentyl 1-O-methyl (Z)-but-2-enedioate

4-O-cyclopentyl 1-O-methyl (Z)-but-2-enedioate (PubChem CID 66902675) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-O-cyclopentyl 1-O-methyl (Z)-but-2-enedioate.

Molecular Properties

Compound Name4-O-cyclopentyl 1-O-methyl (Z)-but-2-enedioate
PubChem CID66902675
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name4-O-cyclopentyl 1-O-methyl (Z)-but-2-enedioate
SMILESCOC(=O)/C=C\C(=O)OC1CCCC1
InChIInChI=1S/C10H14O4/c1-13-9(11)6-7-10(12)14-8-4-2-3-5-8/h6-8H,2-5H2,1H3/b7-6-
InChIKeyJDOSXRPCAZSJFB-SREVYHEPSA-N
XLogP1.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

dicyclohexyl (Z)-but-2-enedioate;methyl prop-2-enoate
CID 174735157
sodium;dicyclohexyl (Z)-but-2-enedioate;hydride
CID 174767941
cyclohexyl (E)-4-amino-4-oxobut-2-enoate
CID 132966691
1-O-cyclohexyl 4-O-propan-2-yl (E)-but-2-enedioate
CID 68672121
dicyclohexyl (2Z,4E)-3-methylhexa-2,4-dienedioate
CID 132558714
1-O-cyclohexyl 4-O-trimethylsilyl (E)-but-2-enedioate
CID 19864022
4-O-(2,5-dimethylcyclopentyl) 1-O-methyl (Z)-but-2-enedioate
CID 70390083
4-O-butan-2-yl 1-O-cyclopentyl (E)-but-2-enedioate
CID 150067611
dicyclohexyl (Z)-but-2-enedioate;hexanedioic acid
CID 174921370
1-O-cyclohexyl 4-O-(1-hydroxypropyl) (Z)-but-2-enedioate
CID 70185475
cyclohexyl (Z)-4-(octylamino)-4-oxobut-2-enoate
CID 139670324
CID 170843168
CID 170843168

Frequently Asked Questions

What is the IUPAC name of 4-O-cyclopentyl 1-O-methyl (Z)-but-2-enedioate?
The IUPAC name of 4-O-cyclopentyl 1-O-methyl (Z)-but-2-enedioate (CID 66902675) is 4-O-cyclopentyl 1-O-methyl (Z)-but-2-enedioate.
What is the SMILES notation for 4-O-cyclopentyl 1-O-methyl (Z)-but-2-enedioate?
The canonical SMILES for 4-O-cyclopentyl 1-O-methyl (Z)-but-2-enedioate is COC(=O)/C=C\C(=O)OC1CCCC1.
What is the InChIKey of 4-O-cyclopentyl 1-O-methyl (Z)-but-2-enedioate?
The InChIKey is JDOSXRPCAZSJFB-SREVYHEPSA-N. The full InChI is InChI=1S/C10H14O4/c1-13-9(11)6-7-10(12)14-8-4-2-3-5-8/h6-8H,2-5H2,1H3/b7-6-.
What are the key properties of 4-O-cyclopentyl 1-O-methyl (Z)-but-2-enedioate?
4-O-cyclopentyl 1-O-methyl (Z)-but-2-enedioate has a molecular weight of 198.22 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-cyclopentyl 1-O-methyl (Z)-but-2-enedioate is sourced from PubChem (CID 66902675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).