ethyl 1-(hydroxymethyl)cyclobutane-1-carboxylate

C8H14O3 — CID 15670506

IUPACethyl 1-(hydroxymethyl)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(CO)CCC1
InChIInChI=1S/C8H14O3/c1-2-11-7(10)8(6-9)4-3-5-8/h9H,2-6H2,1H3
InChIKeyPWMQFMMZBJUHID-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.71
Rot. Bonds3

About ethyl 1-(hydroxymethyl)cyclobutane-1-carboxylate

ethyl 1-(hydroxymethyl)cyclobutane-1-carboxylate (PubChem CID 15670506) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is ethyl 1-(hydroxymethyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(hydroxymethyl)cyclobutane-1-carboxylate
PubChem CID15670506
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Nameethyl 1-(hydroxymethyl)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(CO)CCC1
InChIInChI=1S/C8H14O3/c1-2-11-7(10)8(6-9)4-3-5-8/h9H,2-6H2,1H3
InChIKeyPWMQFMMZBJUHID-UHFFFAOYSA-N
XLogP0.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(hydroxymethyl)cyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-(hydroxymethyl)cyclobutane-1-carboxylate (CID 15670506) is ethyl 1-(hydroxymethyl)cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-(hydroxymethyl)cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-(hydroxymethyl)cyclobutane-1-carboxylate is CCOC(=O)C1(CO)CCC1.
What is the InChIKey of ethyl 1-(hydroxymethyl)cyclobutane-1-carboxylate?
The InChIKey is PWMQFMMZBJUHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-11-7(10)8(6-9)4-3-5-8/h9H,2-6H2,1H3.
What are the key properties of ethyl 1-(hydroxymethyl)cyclobutane-1-carboxylate?
ethyl 1-(hydroxymethyl)cyclobutane-1-carboxylate has a molecular weight of 158.20 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(hydroxymethyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 15670506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).