butan-2-ol;2,3-diethyloxirane

C10H22O2 — CID 174728518

IUPACbutan-2-ol;2,3-diethyloxirane
SMILESCCC(C)O.CCC1OC1CC
InChIInChI=1S/C6H12O.C4H10O/c1-3-5-6(4-2)7-5;1-3-4(2)5/h5-6H,3-4H2,1-2H3;4-5H,3H2,1-2H3
InChIKeyCHJFYDGHOLMTLO-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.35
Rot. Bonds3

About butan-2-ol;2,3-diethyloxirane

butan-2-ol;2,3-diethyloxirane (PubChem CID 174728518) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is butan-2-ol;2,3-diethyloxirane.

Molecular Properties

Compound Namebutan-2-ol;2,3-diethyloxirane
PubChem CID174728518
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Namebutan-2-ol;2,3-diethyloxirane
SMILESCCC(C)O.CCC1OC1CC
InChIInChI=1S/C6H12O.C4H10O/c1-3-5-6(4-2)7-5;1-3-4(2)5/h5-6H,3-4H2,1-2H3;4-5H,3H2,1-2H3
InChIKeyCHJFYDGHOLMTLO-UHFFFAOYSA-N
XLogP2.35
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 butan-2-ol;2,3-diethyloxirane?
The IUPAC name of butan-2-ol;2,3-diethyloxirane (CID 174728518) is butan-2-ol;2,3-diethyloxirane.
What is the SMILES notation for butan-2-ol;2,3-diethyloxirane?
The canonical SMILES for butan-2-ol;2,3-diethyloxirane is CCC(C)O.CCC1OC1CC.
What is the InChIKey of butan-2-ol;2,3-diethyloxirane?
The InChIKey is CHJFYDGHOLMTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C4H10O/c1-3-5-6(4-2)7-5;1-3-4(2)5/h5-6H,3-4H2,1-2H3;4-5H,3H2,1-2H3.
What are the key properties of butan-2-ol;2,3-diethyloxirane?
butan-2-ol;2,3-diethyloxirane has a molecular weight of 174.28 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ol;2,3-diethyloxirane is sourced from PubChem (CID 174728518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).