ethyl 1-methoxycyclopropane-1-carboxylate

C7H12O3 — CID 12021301

IUPACethyl 1-methoxycyclopropane-1-carboxylate
SMILESCCOC(=O)C1(OC)CC1
InChIInChI=1S/C7H12O3/c1-3-10-6(8)7(9-2)4-5-7/h3-5H2,1-2H3
InChIKeyVCMKCUNFLLWYDB-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.73
Rot. Bonds3

About ethyl 1-methoxycyclopropane-1-carboxylate

ethyl 1-methoxycyclopropane-1-carboxylate (PubChem CID 12021301) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is ethyl 1-methoxycyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-methoxycyclopropane-1-carboxylate
PubChem CID12021301
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Nameethyl 1-methoxycyclopropane-1-carboxylate
SMILESCCOC(=O)C1(OC)CC1
InChIInChI=1S/C7H12O3/c1-3-10-6(8)7(9-2)4-5-7/h3-5H2,1-2H3
InChIKeyVCMKCUNFLLWYDB-UHFFFAOYSA-N
XLogP0.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methoxycyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-methoxycyclopropane-1-carboxylate (CID 12021301) is ethyl 1-methoxycyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-methoxycyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-methoxycyclopropane-1-carboxylate is CCOC(=O)C1(OC)CC1.
What is the InChIKey of ethyl 1-methoxycyclopropane-1-carboxylate?
The InChIKey is VCMKCUNFLLWYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-3-10-6(8)7(9-2)4-5-7/h3-5H2,1-2H3.
What are the key properties of ethyl 1-methoxycyclopropane-1-carboxylate?
ethyl 1-methoxycyclopropane-1-carboxylate has a molecular weight of 144.17 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methoxycyclopropane-1-carboxylate is sourced from PubChem (CID 12021301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).