propan-2-ol;prop-1-yne;2,2,3-trimethyloxirane

C11H22O2 — CID 157223902

IUPACpropan-2-ol;prop-1-yne;2,2,3-trimethyloxirane
SMILESC#CC.CC(C)O.CC1OC1(C)C
InChIInChI=1S/C5H10O.C3H8O.C3H4/c1-4-5(2,3)6-4;1-3(2)4;1-3-2/h4H,1-3H3;3-4H,1-2H3;1H,2H3
InChIKeyATHVYYKNLMAOJW-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.21
Rot. Bonds

About propan-2-ol;prop-1-yne;2,2,3-trimethyloxirane

propan-2-ol;prop-1-yne;2,2,3-trimethyloxirane (PubChem CID 157223902) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is propan-2-ol;prop-1-yne;2,2,3-trimethyloxirane.

Molecular Properties

Compound Namepropan-2-ol;prop-1-yne;2,2,3-trimethyloxirane
PubChem CID157223902
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Namepropan-2-ol;prop-1-yne;2,2,3-trimethyloxirane
SMILESC#CC.CC(C)O.CC1OC1(C)C
InChIInChI=1S/C5H10O.C3H8O.C3H4/c1-4-5(2,3)6-4;1-3(2)4;1-3-2/h4H,1-3H3;3-4H,1-2H3;1H,2H3
InChIKeyATHVYYKNLMAOJW-UHFFFAOYSA-N
XLogP2.21
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-ol;prop-1-yne;2,2,3-trimethyloxirane?
The IUPAC name of propan-2-ol;prop-1-yne;2,2,3-trimethyloxirane (CID 157223902) is propan-2-ol;prop-1-yne;2,2,3-trimethyloxirane.
What is the SMILES notation for propan-2-ol;prop-1-yne;2,2,3-trimethyloxirane?
The canonical SMILES for propan-2-ol;prop-1-yne;2,2,3-trimethyloxirane is C#CC.CC(C)O.CC1OC1(C)C.
What is the InChIKey of propan-2-ol;prop-1-yne;2,2,3-trimethyloxirane?
The InChIKey is ATHVYYKNLMAOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.C3H8O.C3H4/c1-4-5(2,3)6-4;1-3(2)4;1-3-2/h4H,1-3H3;3-4H,1-2H3;1H,2H3.
What are the key properties of propan-2-ol;prop-1-yne;2,2,3-trimethyloxirane?
propan-2-ol;prop-1-yne;2,2,3-trimethyloxirane has a molecular weight of 186.29 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ol;prop-1-yne;2,2,3-trimethyloxirane is sourced from PubChem (CID 157223902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).