hydroxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate

C6H10O4 — CID 89348493

IUPAChydroxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate
SMILESO=C(OCO)C1(CO)CC1
InChIInChI=1S/C6H10O4/c7-3-6(1-2-6)5(9)10-4-8/h7-8H,1-4H2
InChIKeyULHYBASJJRWOIN-UHFFFAOYSA-N
MW146.14 g/mol
LogP-0.75
Rot. Bonds3

About hydroxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate

hydroxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate (PubChem CID 89348493) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is hydroxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namehydroxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate
PubChem CID89348493
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Namehydroxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate
SMILESO=C(OCO)C1(CO)CC1
InChIInChI=1S/C6H10O4/c7-3-6(1-2-6)5(9)10-4-8/h7-8H,1-4H2
InChIKeyULHYBASJJRWOIN-UHFFFAOYSA-N
XLogP-0.75
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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'}

Analyze hydroxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hydroxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate?
The IUPAC name of hydroxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate (CID 89348493) is hydroxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for hydroxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate?
The canonical SMILES for hydroxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate is O=C(OCO)C1(CO)CC1.
What is the InChIKey of hydroxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate?
The InChIKey is ULHYBASJJRWOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c7-3-6(1-2-6)5(9)10-4-8/h7-8H,1-4H2.
What are the key properties of hydroxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate?
hydroxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate has a molecular weight of 146.14 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 89348493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).