2-methyloxirane;propan-2-ol

C6H14O2 — CID 18328193

IUPAC2-methyloxirane;propan-2-ol
SMILESCC(C)O.CC1CO1
InChIInChI=1S/C3H6O.C3H8O/c1-3-2-4-3;1-3(2)4/h3H,2H2,1H3;3-4H,1-2H3
InChIKeyAMICEUKKSSPKRG-UHFFFAOYSA-N
MW118.18 g/mol
LogP0.79
Rot. Bonds

About 2-methyloxirane;propan-2-ol

2-methyloxirane;propan-2-ol (PubChem CID 18328193) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is 2-methyloxirane;propan-2-ol.

Molecular Properties

Compound Name2-methyloxirane;propan-2-ol
PubChem CID18328193
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Name2-methyloxirane;propan-2-ol
SMILESCC(C)O.CC1CO1
InChIInChI=1S/C3H6O.C3H8O/c1-3-2-4-3;1-3(2)4/h3H,2H2,1H3;3-4H,1-2H3
InChIKeyAMICEUKKSSPKRG-UHFFFAOYSA-N
XLogP0.79
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 50.79
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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Related Compounds

2-Propyn-1-ol compound with methyloxirane
CID 57349557
Methanol;2-methyloxirane;oxirane
CID 165778
But-2-yne-1,4-diol;2-methyloxirane
CID 170852278
Butane-1,4-diol;2-methyloxirane
CID 17911785
Propylene oxide-methanol
CID 19098831
Ethane-1,2-diol;2-ethyloxirane
CID 23290341
Methyloxirane water
CID 86189816
Ethanol;2-methyloxirane;oxirane
CID 88288613
Potassium;2-ethyloxirane;2-hydroxypropan-1-olate
CID 44149683
Ethanol;oxirane
CID 17998602
2-Ethyloxirane;methanol
CID 19104627
Methanol;2-propyloxirane
CID 19104630

Frequently Asked Questions

What is the IUPAC name of 2-methyloxirane;propan-2-ol?
The IUPAC name of 2-methyloxirane;propan-2-ol (CID 18328193) is 2-methyloxirane;propan-2-ol.
What is the SMILES notation for 2-methyloxirane;propan-2-ol?
The canonical SMILES for 2-methyloxirane;propan-2-ol is CC(C)O.CC1CO1.
What is the InChIKey of 2-methyloxirane;propan-2-ol?
The InChIKey is AMICEUKKSSPKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C3H8O/c1-3-2-4-3;1-3(2)4/h3H,2H2,1H3;3-4H,1-2H3.
What are the key properties of 2-methyloxirane;propan-2-ol?
2-methyloxirane;propan-2-ol has a molecular weight of 118.18 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxirane;propan-2-ol is sourced from PubChem (CID 18328193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).