methoxycarbonyl 1-acetylcyclopentane-1-carboxylate

C10H14O5 — CID 10822502

IUPACmethoxycarbonyl 1-acetylcyclopentane-1-carboxylate
SMILESCOC(=O)OC(=O)C1(C(C)=O)CCCC1
InChIInChI=1S/C10H14O5/c1-7(11)10(5-3-4-6-10)8(12)15-9(13)14-2/h3-6H2,1-2H3
InChIKeyHRWHQCJHGXYHRK-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.45
Rot. Bonds2

About methoxycarbonyl 1-acetylcyclopentane-1-carboxylate

methoxycarbonyl 1-acetylcyclopentane-1-carboxylate (PubChem CID 10822502) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is methoxycarbonyl 1-acetylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethoxycarbonyl 1-acetylcyclopentane-1-carboxylate
PubChem CID10822502
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Namemethoxycarbonyl 1-acetylcyclopentane-1-carboxylate
SMILESCOC(=O)OC(=O)C1(C(C)=O)CCCC1
InChIInChI=1S/C10H14O5/c1-7(11)10(5-3-4-6-10)8(12)15-9(13)14-2/h3-6H2,1-2H3
InChIKeyHRWHQCJHGXYHRK-UHFFFAOYSA-N
XLogP1.45
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 4,4-diacetylcyclohexane-1,1-dicarboxylate
CID 71078652
1-acetylcyclopropane-1-carboperoxoic acid
CID 118398871
bis[(2S)-2-aminopropanoyl] cyclohexane-1,1-dicarboxylate
CID 23405286
methyl 5-acetylspiro[2.3]hexane-5-carboxylate
CID 79560182
methyl (2S,3aS,7aR)-2-acetyl-7a-methyl-3,3a,4,5,6,7-hexahydro-1H-indene-2-carboxylate
CID 11954660
(1-ethylcyclopentyl) methyl carbonate
CID 59539839
tert-butyl 1-acetylcyclopentane-1-carboxylate;1,4-dibromobutane
CID 159278524
methoxycarbonyl 1-hept-6-enoylcyclopropane-1-carboxylate
CID 10848530
dimethyl cyclotetradeca-3,4-diene-1,1-dicarboxylate
CID 177452576
(1-ethylcyclohexyl) methyl carbonate
CID 59539840
methyl 1-(3-methoxy-3-oxoprop-1-en-2-yl)cyclohexane-1-carboxylate
CID 105483862
methyl (1-methylcycloheptyl) carbonate
CID 172553116

Frequently Asked Questions

What is the IUPAC name of methoxycarbonyl 1-acetylcyclopentane-1-carboxylate?
The IUPAC name of methoxycarbonyl 1-acetylcyclopentane-1-carboxylate (CID 10822502) is methoxycarbonyl 1-acetylcyclopentane-1-carboxylate.
What is the SMILES notation for methoxycarbonyl 1-acetylcyclopentane-1-carboxylate?
The canonical SMILES for methoxycarbonyl 1-acetylcyclopentane-1-carboxylate is COC(=O)OC(=O)C1(C(C)=O)CCCC1.
What is the InChIKey of methoxycarbonyl 1-acetylcyclopentane-1-carboxylate?
The InChIKey is HRWHQCJHGXYHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-7(11)10(5-3-4-6-10)8(12)15-9(13)14-2/h3-6H2,1-2H3.
What are the key properties of methoxycarbonyl 1-acetylcyclopentane-1-carboxylate?
methoxycarbonyl 1-acetylcyclopentane-1-carboxylate has a molecular weight of 214.22 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxycarbonyl 1-acetylcyclopentane-1-carboxylate is sourced from PubChem (CID 10822502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).