cis-methyl (3R,4S)-1-acetyl-3-ethenyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate

C15H24O4 — CID 74765970

IUPACcis-methyl (3R,4S)-1-acetyl-3-ethenyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate
SMILESC=C[C@H]1CC(C(C)=O)(C(=O)OC)C[C@@H]1OC(C)(C)C
InChIInChI=1S/C15H24O4/c1-7-11-8-15(10(2)16,13(17)18-6)9-12(11)19-14(3,4)5/h7,11-12H,1,8-9H2,2-6H3/t11-,12-,15?/m0/s1
InChIKeyLNYVIRSQMHOASA-GYZKLXCISA-N
MW268.35 g/mol
LogP2.51
Rot. Bonds4

About cis-methyl (3R,4S)-1-acetyl-3-ethenyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate

cis-methyl (3R,4S)-1-acetyl-3-ethenyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate (PubChem CID 74765970) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is cis-methyl (3R,4S)-1-acetyl-3-ethenyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (3R,4S)-1-acetyl-3-ethenyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate
PubChem CID74765970
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Namecis-methyl (3R,4S)-1-acetyl-3-ethenyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate
SMILESC=C[C@H]1CC(C(C)=O)(C(=O)OC)C[C@@H]1OC(C)(C)C
InChIInChI=1S/C15H24O4/c1-7-11-8-15(10(2)16,13(17)18-6)9-12(11)19-14(3,4)5/h7,11-12H,1,8-9H2,2-6H3/t11-,12-,15?/m0/s1
InChIKeyLNYVIRSQMHOASA-GYZKLXCISA-N
XLogP2.51
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 1-acetyl-3-butoxy-4-ethenylcyclopentane-1-carboxylate
CID 14120316
Methyl (3R,4S)-3-t-butoxy-1-(cyclohexylcarbonyl)-4-vinylcyclopentane-1-carboxylate
CID 74765960
Di-t-butyl (3R,4S)-3-t-butoxy-4-vinylcyclopentane-1,1-dicarboxylate
CID 74765961
Methyl (3R,4S)-3-t-butoxy-1-isobutyryl-4-vinylcyclopentane-1-carboxylate
CID 74765965
Dimethyl (3R,4S)-3-t-butoxy-4-vinylcyclopentane-1,1-dicarboxylate
CID 74765977
Methyl (3R,4S)-3-t-butoxy-1-pentanoyl-4-vinylcyclopentane-1-carboxylate
CID 74765979
trans-ditert-butyl (3R,4S)-3-hydroxy-4-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate
CID 132918702
cis-dimethyl (3R,4S)-3-ethoxy-4-[(E)-2-trimethylsilylethenyl]cyclopentane-1,1-dicarboxylate
CID 155931987
Dimethyl 3-acetyloxy-4-ethenyl-3-methylcyclopentane-1,1-dicarboxylate
CID 14120305
tert-butyl (1S,3R,4S)-3-butoxy-4-ethenylcyclopentane-1-carboxylate
CID 101616378
tert-butyl (1S,3R,4S)-3-(2,2-dimethylpropanoyloxy)-4-ethenylcyclopentane-1-carboxylate
CID 101616379
tert-butyl (1S,3S,4S)-3-(2,2-dimethylpropanoyloxy)-4-ethenylcyclopentane-1-carboxylate
CID 101616384

Frequently Asked Questions

What is the IUPAC name of cis-methyl (3R,4S)-1-acetyl-3-ethenyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate?
The IUPAC name of cis-methyl (3R,4S)-1-acetyl-3-ethenyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate (CID 74765970) is cis-methyl (3R,4S)-1-acetyl-3-ethenyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate.
What is the SMILES notation for cis-methyl (3R,4S)-1-acetyl-3-ethenyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate?
The canonical SMILES for cis-methyl (3R,4S)-1-acetyl-3-ethenyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate is C=C[C@H]1CC(C(C)=O)(C(=O)OC)C[C@@H]1OC(C)(C)C.
What is the InChIKey of cis-methyl (3R,4S)-1-acetyl-3-ethenyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate?
The InChIKey is LNYVIRSQMHOASA-GYZKLXCISA-N. The full InChI is InChI=1S/C15H24O4/c1-7-11-8-15(10(2)16,13(17)18-6)9-12(11)19-14(3,4)5/h7,11-12H,1,8-9H2,2-6H3/t11-,12-,15?/m0/s1.
What are the key properties of cis-methyl (3R,4S)-1-acetyl-3-ethenyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate?
cis-methyl (3R,4S)-1-acetyl-3-ethenyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate has a molecular weight of 268.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (3R,4S)-1-acetyl-3-ethenyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate is sourced from PubChem (CID 74765970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).