2,3-dimethyl-2-(2-methylprop-2-enyl)oxetane

C9H16O — CID 134895821

IUPAC2,3-dimethyl-2-(2-methylprop-2-enyl)oxetane
SMILESC=C(C)CC1(C)OCC1C
InChIInChI=1S/C9H16O/c1-7(2)5-9(4)8(3)6-10-9/h8H,1,5-6H2,2-4H3
InChIKeyISWONDOYHQUVIN-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.38
Rot. Bonds2

About 2,3-dimethyl-2-(2-methylprop-2-enyl)oxetane

2,3-dimethyl-2-(2-methylprop-2-enyl)oxetane (PubChem CID 134895821) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2,3-dimethyl-2-(2-methylprop-2-enyl)oxetane.

Molecular Properties

Compound Name2,3-dimethyl-2-(2-methylprop-2-enyl)oxetane
PubChem CID134895821
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2,3-dimethyl-2-(2-methylprop-2-enyl)oxetane
SMILESC=C(C)CC1(C)OCC1C
InChIInChI=1S/C9H16O/c1-7(2)5-9(4)8(3)6-10-9/h8H,1,5-6H2,2-4H3
InChIKeyISWONDOYHQUVIN-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-2-(2-methylprop-2-enyl)oxetane
CID 22160803
Npc81102
CID 550119
(2R,3S)-2,3-dimethyl-2-(2-methylideneoctyl)oxetane
CID 11637087
Ctk1D0856
CID 12129129
2,3-Dimethyl-2-(2-methylideneoctyl)oxetane
CID 73037807
2-Methyl-2-(3-methylbut-3-enyl)oxetane
CID 86078756
2-Methyl-2-(2-methylideneoctyl)oxetane
CID 86078830
1-Ethoxy-4-methyl-3-methylidenehexane
CID 54324065
2,2,3-Tris(prop-2-enyl)oxetane
CID 67279425
3-(4-Methylpenta-1,4-dien-2-yloxymethyl)heptane
CID 88563765
2,3-Dimethyl-6-propoxyhex-1-ene
CID 89138957
1-Methoxy-4-methyl-3-methylidenehexane
CID 89328279

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-(2-methylprop-2-enyl)oxetane?
The IUPAC name of 2,3-dimethyl-2-(2-methylprop-2-enyl)oxetane (CID 134895821) is 2,3-dimethyl-2-(2-methylprop-2-enyl)oxetane.
What is the SMILES notation for 2,3-dimethyl-2-(2-methylprop-2-enyl)oxetane?
The canonical SMILES for 2,3-dimethyl-2-(2-methylprop-2-enyl)oxetane is C=C(C)CC1(C)OCC1C.
What is the InChIKey of 2,3-dimethyl-2-(2-methylprop-2-enyl)oxetane?
The InChIKey is ISWONDOYHQUVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-7(2)5-9(4)8(3)6-10-9/h8H,1,5-6H2,2-4H3.
What are the key properties of 2,3-dimethyl-2-(2-methylprop-2-enyl)oxetane?
2,3-dimethyl-2-(2-methylprop-2-enyl)oxetane has a molecular weight of 140.23 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-(2-methylprop-2-enyl)oxetane is sourced from PubChem (CID 134895821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).