2-methylcyclopropane-1,1-diol

C4H8O2 — CID 68932442

IUPAC2-methylcyclopropane-1,1-diol
SMILESCC1CC1(O)O
InChIInChI=1S/C4H8O2/c1-3-2-4(3,5)6/h3,5-6H,2H2,1H3
InChIKeyQBGXNSBJRUANLZ-UHFFFAOYSA-N
MW88.11 g/mol
LogP-0.29
Rot. Bonds

About 2-methylcyclopropane-1,1-diol

2-methylcyclopropane-1,1-diol (PubChem CID 68932442) has the molecular formula C4H8O2 and a molecular weight of 88.11 g/mol. Its IUPAC name is 2-methylcyclopropane-1,1-diol.

Molecular Properties

Compound Name2-methylcyclopropane-1,1-diol
PubChem CID68932442
Molecular FormulaC4H8O2
Molecular Weight88.11 g/mol
Exact Mass88.05
IUPAC Name2-methylcyclopropane-1,1-diol
SMILESCC1CC1(O)O
InChIInChI=1S/C4H8O2/c1-3-2-4(3,5)6/h3,5-6H,2H2,1H3
InChIKeyQBGXNSBJRUANLZ-UHFFFAOYSA-N
XLogP-0.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-methylcyclopropane-1,1-diol?
The IUPAC name of 2-methylcyclopropane-1,1-diol (CID 68932442) is 2-methylcyclopropane-1,1-diol.
What is the SMILES notation for 2-methylcyclopropane-1,1-diol?
The canonical SMILES for 2-methylcyclopropane-1,1-diol is CC1CC1(O)O.
What is the InChIKey of 2-methylcyclopropane-1,1-diol?
The InChIKey is QBGXNSBJRUANLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2/c1-3-2-4(3,5)6/h3,5-6H,2H2,1H3.
What are the key properties of 2-methylcyclopropane-1,1-diol?
2-methylcyclopropane-1,1-diol has a molecular weight of 88.11 g/mol, XLogP of -0.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylcyclopropane-1,1-diol is sourced from PubChem (CID 68932442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).