methyl 1-(dihydroxymethyl)cyclopropane-1-carboxylate

C6H10O4 — CID 90464302

IUPACmethyl 1-(dihydroxymethyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(O)O)CC1
InChIInChI=1S/C6H10O4/c1-10-5(9)6(2-3-6)4(7)8/h4,7-8H,2-3H2,1H3
InChIKeyOPOAIKWYQJAOJC-UHFFFAOYSA-N
MW146.14 g/mol
LogP-0.75
Rot. Bonds2

About methyl 1-(dihydroxymethyl)cyclopropane-1-carboxylate

methyl 1-(dihydroxymethyl)cyclopropane-1-carboxylate (PubChem CID 90464302) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is methyl 1-(dihydroxymethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(dihydroxymethyl)cyclopropane-1-carboxylate
PubChem CID90464302
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Namemethyl 1-(dihydroxymethyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(O)O)CC1
InChIInChI=1S/C6H10O4/c1-10-5(9)6(2-3-6)4(7)8/h4,7-8H,2-3H2,1H3
InChIKeyOPOAIKWYQJAOJC-UHFFFAOYSA-N
XLogP-0.75
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(dihydroxymethyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(dihydroxymethyl)cyclopropane-1-carboxylate (CID 90464302) is methyl 1-(dihydroxymethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(dihydroxymethyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(dihydroxymethyl)cyclopropane-1-carboxylate is COC(=O)C1(C(O)O)CC1.
What is the InChIKey of methyl 1-(dihydroxymethyl)cyclopropane-1-carboxylate?
The InChIKey is OPOAIKWYQJAOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-10-5(9)6(2-3-6)4(7)8/h4,7-8H,2-3H2,1H3.
What are the key properties of methyl 1-(dihydroxymethyl)cyclopropane-1-carboxylate?
methyl 1-(dihydroxymethyl)cyclopropane-1-carboxylate has a molecular weight of 146.14 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(dihydroxymethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 90464302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).