methyl (3Z,4Z)-3,4-bis(2-methoxyethylidene)cyclopentene-1-carboxylate

C13H18O4 — CID 135028071

IUPACmethyl (3Z,4Z)-3,4-bis(2-methoxyethylidene)cyclopentene-1-carboxylate
SMILESCOC/C=C1/C=C(C(=O)OC)C/C1=C/COC
InChIInChI=1S/C13H18O4/c1-15-6-4-10-8-12(13(14)17-3)9-11(10)5-7-16-2/h4-5,8H,6-7,9H2,1-3H3/b10-4-,11-5-
InChIKeyJTYLXNUAFFPSEA-GGXLTUIBSA-N
MW238.28 g/mol
LogP1.64
Rot. Bonds5

About methyl (3Z,4Z)-3,4-bis(2-methoxyethylidene)cyclopentene-1-carboxylate

methyl (3Z,4Z)-3,4-bis(2-methoxyethylidene)cyclopentene-1-carboxylate (PubChem CID 135028071) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is methyl (3Z,4Z)-3,4-bis(2-methoxyethylidene)cyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl (3Z,4Z)-3,4-bis(2-methoxyethylidene)cyclopentene-1-carboxylate
PubChem CID135028071
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Namemethyl (3Z,4Z)-3,4-bis(2-methoxyethylidene)cyclopentene-1-carboxylate
SMILESCOC/C=C1/C=C(C(=O)OC)C/C1=C/COC
InChIInChI=1S/C13H18O4/c1-15-6-4-10-8-12(13(14)17-3)9-11(10)5-7-16-2/h4-5,8H,6-7,9H2,1-3H3/b10-4-,11-5-
InChIKeyJTYLXNUAFFPSEA-GGXLTUIBSA-N
XLogP1.64
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (3Z,4Z)-3,4-bis(2-methoxyethylidene)cyclopentene-1-carboxylate with MolForge

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Related Compounds

Methyl cyclopent-1-ene-1-carboxylate
CID 549129
1,3-Cyclohexadiene-1-carboxylic acid, 4,6,6-trimethyl-, ethyl ester
CID 68524240
Methyl 2-propylpent-2-enoate
CID 10241045
3-butyl-2(5H)-furanone
CID 11768654
rel-(+)-(10R)-cembra-1E,3E,7E,11Z,15-pentaen-20,10-olide
CID 70698063
rel-(+)-(10R)-cembra-1Z,3Z,7E,11Z,15-pentaen-20,10-olide
CID 70698064
3-Butyl-5-methylidenefuran-2-one
CID 12914774
Setosphapyrone D
CID 139590085
methyl (6E,10Z,14E,15aS)-3,6,14-trimethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylate
CID 10359306
methyl (6E,10Z,14E,15aS)-3,6,14-trimethyl-2-oxo-5,8,9,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-10-carboxylate
CID 11110711
(2R)-4-butyl-2-methyl-2H-furan-5-one
CID 13548531
7,11-Dimethyl-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),4,6,10-tetraen-15-one
CID 76416383

Frequently Asked Questions

What is the IUPAC name of methyl (3Z,4Z)-3,4-bis(2-methoxyethylidene)cyclopentene-1-carboxylate?
The IUPAC name of methyl (3Z,4Z)-3,4-bis(2-methoxyethylidene)cyclopentene-1-carboxylate (CID 135028071) is methyl (3Z,4Z)-3,4-bis(2-methoxyethylidene)cyclopentene-1-carboxylate.
What is the SMILES notation for methyl (3Z,4Z)-3,4-bis(2-methoxyethylidene)cyclopentene-1-carboxylate?
The canonical SMILES for methyl (3Z,4Z)-3,4-bis(2-methoxyethylidene)cyclopentene-1-carboxylate is COC/C=C1/C=C(C(=O)OC)C/C1=C/COC.
What is the InChIKey of methyl (3Z,4Z)-3,4-bis(2-methoxyethylidene)cyclopentene-1-carboxylate?
The InChIKey is JTYLXNUAFFPSEA-GGXLTUIBSA-N. The full InChI is InChI=1S/C13H18O4/c1-15-6-4-10-8-12(13(14)17-3)9-11(10)5-7-16-2/h4-5,8H,6-7,9H2,1-3H3/b10-4-,11-5-.
What are the key properties of methyl (3Z,4Z)-3,4-bis(2-methoxyethylidene)cyclopentene-1-carboxylate?
methyl (3Z,4Z)-3,4-bis(2-methoxyethylidene)cyclopentene-1-carboxylate has a molecular weight of 238.28 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3Z,4Z)-3,4-bis(2-methoxyethylidene)cyclopentene-1-carboxylate is sourced from PubChem (CID 135028071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).