ethyl 1,2-bis(hydroxymethyl)cyclopropane-1-carboxylate

C8H14O4 — CID 12035454

IUPACethyl 1,2-bis(hydroxymethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(CO)CC1CO
InChIInChI=1S/C8H14O4/c1-2-12-7(11)8(5-10)3-6(8)4-9/h6,9-10H,2-5H2,1H3
InChIKeyQWJMMXIAENUVEY-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.46
Rot. Bonds4

About ethyl 1,2-bis(hydroxymethyl)cyclopropane-1-carboxylate

ethyl 1,2-bis(hydroxymethyl)cyclopropane-1-carboxylate (PubChem CID 12035454) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is ethyl 1,2-bis(hydroxymethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1,2-bis(hydroxymethyl)cyclopropane-1-carboxylate
PubChem CID12035454
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Nameethyl 1,2-bis(hydroxymethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(CO)CC1CO
InChIInChI=1S/C8H14O4/c1-2-12-7(11)8(5-10)3-6(8)4-9/h6,9-10H,2-5H2,1H3
InChIKeyQWJMMXIAENUVEY-UHFFFAOYSA-N
XLogP-0.46
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(hydroxymethyl)-2-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate
CID 123597559
cis-ethyl (1S,2R)-1-(aminomethyl)-2-(benzenesulfonyl)cyclopropane-1-carboxylate
CID 99999029
trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate
CID 102520538
cis-ethyl (1R,2S)-1-(aminomethyl)-2-cyclopropylcyclopropane-1-carboxylate
CID 129415808
diethyl 2-fluorocyclopropane-1,1-dicarboxylate
CID 134464391
ethyl 8-methyltricyclo[3.2.1.03,8]octane-3-carboxylate
CID 143508275
diethyl 2-(bromomethyl)cyclopropane-1,1-dicarboxylate
CID 12740750
2-bromo-2-ethoxycarbonylcyclopropane-1-carboxylic acid
CID 139621481
diethyl 2-propylcyclopropane-1,1-dicarboxylate
CID 14811904
ethyl 3,3-difluoro-1-(hydroxymethyl)cyclobutane-1-carboxylate
CID 162420364
ethyl 1-amino-2,3-dimethylcyclobutane-1-carboxylate
CID 130703819
cis-ethyl (1R,2S)-1-(aminomethyl)-2-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate
CID 99999528

Frequently Asked Questions

What is the IUPAC name of ethyl 1,2-bis(hydroxymethyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1,2-bis(hydroxymethyl)cyclopropane-1-carboxylate (CID 12035454) is ethyl 1,2-bis(hydroxymethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1,2-bis(hydroxymethyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1,2-bis(hydroxymethyl)cyclopropane-1-carboxylate is CCOC(=O)C1(CO)CC1CO.
What is the InChIKey of ethyl 1,2-bis(hydroxymethyl)cyclopropane-1-carboxylate?
The InChIKey is QWJMMXIAENUVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-2-12-7(11)8(5-10)3-6(8)4-9/h6,9-10H,2-5H2,1H3.
What are the key properties of ethyl 1,2-bis(hydroxymethyl)cyclopropane-1-carboxylate?
ethyl 1,2-bis(hydroxymethyl)cyclopropane-1-carboxylate has a molecular weight of 174.20 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2-bis(hydroxymethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 12035454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).