methyl 1-formylcyclopentane-1-carboxylate

C8H12O3 — CID 10931680

IUPACmethyl 1-formylcyclopentane-1-carboxylate
SMILESCOC(=O)C1(C=O)CCCC1
InChIInChI=1S/C8H12O3/c1-11-7(10)8(6-9)4-2-3-5-8/h6H,2-5H2,1H3
InChIKeyYGQQKLBBWIBWKJ-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.92
Rot. Bonds2

About methyl 1-formylcyclopentane-1-carboxylate

methyl 1-formylcyclopentane-1-carboxylate (PubChem CID 10931680) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is methyl 1-formylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-formylcyclopentane-1-carboxylate
PubChem CID10931680
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Namemethyl 1-formylcyclopentane-1-carboxylate
SMILESCOC(=O)C1(C=O)CCCC1
InChIInChI=1S/C8H12O3/c1-11-7(10)8(6-9)4-2-3-5-8/h6H,2-5H2,1H3
InChIKeyYGQQKLBBWIBWKJ-UHFFFAOYSA-N
XLogP0.92
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 1-methyl-2-oxocyclopentane-1-carboxylate
CID 227353
Diethyl 1,1-cyclopentanedicarboxylate
CID 77830
Cyclopentanecarboxylic acid, 1-methyl-2-oxo-, methyl ester
CID 121785
Cyclopentanecarboxylic acid, 1-methyl-, methyl ester
CID 138306
Dimethyl cyclopentane-1,1-dicarboxylate
CID 12609605
Ethyl 1-acetylcyclopentane-1-carboxylate
CID 13050135
Methyl 1-acetylcyclopentane-1-carboxylate
CID 15215405
Ethyl 1-formylcyclopentane-1-carboxylate
CID 20460412
Tert-butyl 1-formylcyclopentane-1-carboxylate
CID 83819004
1-(Methoxymethyl)cyclopentane-1-carbaldehyde
CID 88943345
1-(Ethoxycarbonyl)cyclopentane-1-carboxylate
CID 71364713
(R)-Methyl 1-methyl-2-oxocyclopentanecarboxylate
CID 12409305

Frequently Asked Questions

What is the IUPAC name of methyl 1-formylcyclopentane-1-carboxylate?
The IUPAC name of methyl 1-formylcyclopentane-1-carboxylate (CID 10931680) is methyl 1-formylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-formylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-formylcyclopentane-1-carboxylate is COC(=O)C1(C=O)CCCC1.
What is the InChIKey of methyl 1-formylcyclopentane-1-carboxylate?
The InChIKey is YGQQKLBBWIBWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-11-7(10)8(6-9)4-2-3-5-8/h6H,2-5H2,1H3.
What are the key properties of methyl 1-formylcyclopentane-1-carboxylate?
methyl 1-formylcyclopentane-1-carboxylate has a molecular weight of 156.18 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-formylcyclopentane-1-carboxylate is sourced from PubChem (CID 10931680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).