methyl (E,4R,5R)-5-(cyclopenten-1-yl)-5-methoxy-4-methylpent-2-enoate

C13H20O3 — CID 135071110

IUPACmethyl (E,4R,5R)-5-(cyclopenten-1-yl)-5-methoxy-4-methylpent-2-enoate
SMILESCOC(=O)/C=C/[C@@H](C)[C@@H](OC)C1=CCCC1
InChIInChI=1S/C13H20O3/c1-10(8-9-12(14)15-2)13(16-3)11-6-4-5-7-11/h6,8-10,13H,4-5,7H2,1-3H3/b9-8+/t10-,13-/m1/s1
InChIKeyHEUYIVFESOFANH-NNWFXZMQSA-N
MW224.30 g/mol
LogP2.48
Rot. Bonds5

About methyl (E,4R,5R)-5-(cyclopenten-1-yl)-5-methoxy-4-methylpent-2-enoate

methyl (E,4R,5R)-5-(cyclopenten-1-yl)-5-methoxy-4-methylpent-2-enoate (PubChem CID 135071110) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is methyl (E,4R,5R)-5-(cyclopenten-1-yl)-5-methoxy-4-methylpent-2-enoate.

Molecular Properties

Compound Namemethyl (E,4R,5R)-5-(cyclopenten-1-yl)-5-methoxy-4-methylpent-2-enoate
PubChem CID135071110
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Namemethyl (E,4R,5R)-5-(cyclopenten-1-yl)-5-methoxy-4-methylpent-2-enoate
SMILESCOC(=O)/C=C/[C@@H](C)[C@@H](OC)C1=CCCC1
InChIInChI=1S/C13H20O3/c1-10(8-9-12(14)15-2)13(16-3)11-6-4-5-7-11/h6,8-10,13H,4-5,7H2,1-3H3/b9-8+/t10-,13-/m1/s1
InChIKeyHEUYIVFESOFANH-NNWFXZMQSA-N
XLogP2.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (E,4R,5R)-5-(cyclopenten-1-yl)-5-methoxy-4-methylpent-2-enoate with MolForge

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Related Compounds

methyl (E,4S,5R)-5-methoxy-4-methyl-5-phenylpent-2-enoate
CID 134943373
methyl 3-(cyclohexen-1-yl)prop-2-enoate
CID 53425583
1-(cyclohexen-1-yl)ethyl methyl carbonate
CID 102371125
methyl (Z,4R)-4-phenylmethoxypent-2-enoate
CID 10082195
1-(cyclopenten-1-yl)ethyl formate
CID 54445085
methyl (E,4S,5R)-5-hydroxy-4-methylhept-2-enoate
CID 11084337
methyl (4S)-4-aminopent-2-enoate
CID 91583994
methyl 4-bromopent-2-enoate
CID 54128087
methyl (4R,5R)-4,5-dimethyl-7-oxohept-2-enoate
CID 71358367
methyl (E,4S,5S)-7-hydroxy-4,5-dimethylhept-2-enoate
CID 5325248
methyl (2R)-2-(cyclopenten-1-yl)-2-[dimethyl(phenyl)silyl]acetate
CID 177487934
methyl (E,4R,5S)-5-(methoxycarbonylamino)-4-methyl-5-phenylpent-2-enoate
CID 102524757

Frequently Asked Questions

What is the IUPAC name of methyl (E,4R,5R)-5-(cyclopenten-1-yl)-5-methoxy-4-methylpent-2-enoate?
The IUPAC name of methyl (E,4R,5R)-5-(cyclopenten-1-yl)-5-methoxy-4-methylpent-2-enoate (CID 135071110) is methyl (E,4R,5R)-5-(cyclopenten-1-yl)-5-methoxy-4-methylpent-2-enoate.
What is the SMILES notation for methyl (E,4R,5R)-5-(cyclopenten-1-yl)-5-methoxy-4-methylpent-2-enoate?
The canonical SMILES for methyl (E,4R,5R)-5-(cyclopenten-1-yl)-5-methoxy-4-methylpent-2-enoate is COC(=O)/C=C/[C@@H](C)[C@@H](OC)C1=CCCC1.
What is the InChIKey of methyl (E,4R,5R)-5-(cyclopenten-1-yl)-5-methoxy-4-methylpent-2-enoate?
The InChIKey is HEUYIVFESOFANH-NNWFXZMQSA-N. The full InChI is InChI=1S/C13H20O3/c1-10(8-9-12(14)15-2)13(16-3)11-6-4-5-7-11/h6,8-10,13H,4-5,7H2,1-3H3/b9-8+/t10-,13-/m1/s1.
What are the key properties of methyl (E,4R,5R)-5-(cyclopenten-1-yl)-5-methoxy-4-methylpent-2-enoate?
methyl (E,4R,5R)-5-(cyclopenten-1-yl)-5-methoxy-4-methylpent-2-enoate has a molecular weight of 224.30 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,4R,5R)-5-(cyclopenten-1-yl)-5-methoxy-4-methylpent-2-enoate is sourced from PubChem (CID 135071110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).