methyl 3-formyloxycyclopentane-1-carboxylate

C8H12O4 — CID 57125672

IUPACmethyl 3-formyloxycyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC(OC=O)C1
InChIInChI=1S/C8H12O4/c1-11-8(10)6-2-3-7(4-6)12-5-9/h5-7H,2-4H2,1H3
InChIKeyAYKMIQZYPSBRGD-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.50
Rot. Bonds3

About methyl 3-formyloxycyclopentane-1-carboxylate

methyl 3-formyloxycyclopentane-1-carboxylate (PubChem CID 57125672) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is methyl 3-formyloxycyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-formyloxycyclopentane-1-carboxylate
PubChem CID57125672
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Namemethyl 3-formyloxycyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC(OC=O)C1
InChIInChI=1S/C8H12O4/c1-11-8(10)6-2-3-7(4-6)12-5-9/h5-7H,2-4H2,1H3
InChIKeyAYKMIQZYPSBRGD-UHFFFAOYSA-N
XLogP0.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-formyloxycyclopentane-1-carboxylate?
The IUPAC name of methyl 3-formyloxycyclopentane-1-carboxylate (CID 57125672) is methyl 3-formyloxycyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-formyloxycyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-formyloxycyclopentane-1-carboxylate is COC(=O)C1CCC(OC=O)C1.
What is the InChIKey of methyl 3-formyloxycyclopentane-1-carboxylate?
The InChIKey is AYKMIQZYPSBRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-11-8(10)6-2-3-7(4-6)12-5-9/h5-7H,2-4H2,1H3.
What are the key properties of methyl 3-formyloxycyclopentane-1-carboxylate?
methyl 3-formyloxycyclopentane-1-carboxylate has a molecular weight of 172.18 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-formyloxycyclopentane-1-carboxylate is sourced from PubChem (CID 57125672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).