2-methyloxirane;2-propan-2-yloxypropane

C9H20O2 — CID 121301937

IUPAC2-methyloxirane;2-propan-2-yloxypropane
SMILESCC(C)OC(C)C.CC1CO1
InChIInChI=1S/C6H14O.C3H6O/c1-5(2)7-6(3)4;1-3-2-4-3/h5-6H,1-4H3;3H,2H2,1H3
InChIKeyZVPBDICLKASKEI-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.22
Rot. Bonds2

About 2-methyloxirane;2-propan-2-yloxypropane

2-methyloxirane;2-propan-2-yloxypropane (PubChem CID 121301937) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 2-methyloxirane;2-propan-2-yloxypropane.

Molecular Properties

Compound Name2-methyloxirane;2-propan-2-yloxypropane
PubChem CID121301937
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name2-methyloxirane;2-propan-2-yloxypropane
SMILESCC(C)OC(C)C.CC1CO1
InChIInChI=1S/C6H14O.C3H6O/c1-5(2)7-6(3)4;1-3-2-4-3/h5-6H,1-4H3;3H,2H2,1H3
InChIKeyZVPBDICLKASKEI-UHFFFAOYSA-N
XLogP2.22
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 163498360
CID 163498360
2-methyloxirane;polane
CID 173240072
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magnesium;hydride;2-methyloxirane
CID 173126818
cyclohexane;2-propan-2-yloxypropane
CID 22558525
2-methyloxirane;molecular iodine
CID 91277313
(2S)-2,5-dimethyl-1,4-dioxane
CID 6712981
2-methyloxirane;oxirane;propan-2-ol
CID 22467713
(2-methyloxirane);oxirane
CID 173423277
butan-2-ol;2-methyloxirane
CID 161079441
sodium;1,4,7,10,13,16-hexaoxacyclooctadecane;2-propan-2-yloxypropane
CID 5255430

Frequently Asked Questions

What is the IUPAC name of 2-methyloxirane;2-propan-2-yloxypropane?
The IUPAC name of 2-methyloxirane;2-propan-2-yloxypropane (CID 121301937) is 2-methyloxirane;2-propan-2-yloxypropane.
What is the SMILES notation for 2-methyloxirane;2-propan-2-yloxypropane?
The canonical SMILES for 2-methyloxirane;2-propan-2-yloxypropane is CC(C)OC(C)C.CC1CO1.
What is the InChIKey of 2-methyloxirane;2-propan-2-yloxypropane?
The InChIKey is ZVPBDICLKASKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C3H6O/c1-5(2)7-6(3)4;1-3-2-4-3/h5-6H,1-4H3;3H,2H2,1H3.
What are the key properties of 2-methyloxirane;2-propan-2-yloxypropane?
2-methyloxirane;2-propan-2-yloxypropane has a molecular weight of 160.26 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxirane;2-propan-2-yloxypropane is sourced from PubChem (CID 121301937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).