2-[5-methyl-5-(oxiran-2-yl)oxolan-2-yl]propan-1-ol

C10H18O3 — CID 91264076

IUPAC2-[5-methyl-5-(oxiran-2-yl)oxolan-2-yl]propan-1-ol
SMILESCC(CO)C1CCC(C)(C2CO2)O1
InChIInChI=1S/C10H18O3/c1-7(5-11)8-3-4-10(2,13-8)9-6-12-9/h7-9,11H,3-6H2,1-2H3
InChIKeyXZDUDSXRVQCEKT-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.95
Rot. Bonds3

About 2-[5-methyl-5-(oxiran-2-yl)oxolan-2-yl]propan-1-ol

2-[5-methyl-5-(oxiran-2-yl)oxolan-2-yl]propan-1-ol (PubChem CID 91264076) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[5-methyl-5-(oxiran-2-yl)oxolan-2-yl]propan-1-ol.

Molecular Properties

Compound Name2-[5-methyl-5-(oxiran-2-yl)oxolan-2-yl]propan-1-ol
PubChem CID91264076
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-[5-methyl-5-(oxiran-2-yl)oxolan-2-yl]propan-1-ol
SMILESCC(CO)C1CCC(C)(C2CO2)O1
InChIInChI=1S/C10H18O3/c1-7(5-11)8-3-4-10(2,13-8)9-6-12-9/h7-9,11H,3-6H2,1-2H3
InChIKeyXZDUDSXRVQCEKT-UHFFFAOYSA-N
XLogP0.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-5-(oxiran-2-yl)oxolan-2-yl]propan-1-ol?
The IUPAC name of 2-[5-methyl-5-(oxiran-2-yl)oxolan-2-yl]propan-1-ol (CID 91264076) is 2-[5-methyl-5-(oxiran-2-yl)oxolan-2-yl]propan-1-ol.
What is the SMILES notation for 2-[5-methyl-5-(oxiran-2-yl)oxolan-2-yl]propan-1-ol?
The canonical SMILES for 2-[5-methyl-5-(oxiran-2-yl)oxolan-2-yl]propan-1-ol is CC(CO)C1CCC(C)(C2CO2)O1.
What is the InChIKey of 2-[5-methyl-5-(oxiran-2-yl)oxolan-2-yl]propan-1-ol?
The InChIKey is XZDUDSXRVQCEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7(5-11)8-3-4-10(2,13-8)9-6-12-9/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 2-[5-methyl-5-(oxiran-2-yl)oxolan-2-yl]propan-1-ol?
2-[5-methyl-5-(oxiran-2-yl)oxolan-2-yl]propan-1-ol has a molecular weight of 186.25 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-5-(oxiran-2-yl)oxolan-2-yl]propan-1-ol is sourced from PubChem (CID 91264076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).