2-(3-methoxy-2,2-dimethylbutyl)oxetane

C10H20O2 — CID 91216506

IUPAC2-(3-methoxy-2,2-dimethylbutyl)oxetane
SMILESCOC(C)C(C)(C)CC1CCO1
InChIInChI=1S/C10H20O2/c1-8(11-4)10(2,3)7-9-5-6-12-9/h8-9H,5-7H2,1-4H3
InChIKeyYRLGAXFGSWYLTD-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds4

About 2-(3-methoxy-2,2-dimethylbutyl)oxetane

2-(3-methoxy-2,2-dimethylbutyl)oxetane (PubChem CID 91216506) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(3-methoxy-2,2-dimethylbutyl)oxetane.

Molecular Properties

Compound Name2-(3-methoxy-2,2-dimethylbutyl)oxetane
PubChem CID91216506
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-(3-methoxy-2,2-dimethylbutyl)oxetane
SMILESCOC(C)C(C)(C)CC1CCO1
InChIInChI=1S/C10H20O2/c1-8(11-4)10(2,3)7-9-5-6-12-9/h8-9H,5-7H2,1-4H3
InChIKeyYRLGAXFGSWYLTD-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Butyl-3,3-dimethyloxetane
CID 135050726
1-Methyl-13-oxabicyclo[10.2.0]tetradecane
CID 86050295
2-(2-Methylbutan-2-yl)oxolane
CID 12508231
2-(2-Ethylhexyl)oxetane
CID 23081675
3-Butyl-3-ethyl-2-propyloxetane
CID 23514638
3-Ethyl-3-[3-(3-ethyl-2-methyloxetan-3-yl)propyl]-2-methyloxetane
CID 23541444
3-(3-Ethyl-3-methyloxetan-2-yl)propan-1-ol
CID 54362207
CID 58667878
CID 58667878
3-Butyl-2,3-diethyloxetane
CID 58779787
2-Decyl-3,3-dimethyloxetane
CID 58963657
3,3-Dimethyl-2-(octoxymethyl)oxetane
CID 59687567
2-(3-Methylpentan-3-yl)oxolane
CID 59850736

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2,2-dimethylbutyl)oxetane?
The IUPAC name of 2-(3-methoxy-2,2-dimethylbutyl)oxetane (CID 91216506) is 2-(3-methoxy-2,2-dimethylbutyl)oxetane.
What is the SMILES notation for 2-(3-methoxy-2,2-dimethylbutyl)oxetane?
The canonical SMILES for 2-(3-methoxy-2,2-dimethylbutyl)oxetane is COC(C)C(C)(C)CC1CCO1.
What is the InChIKey of 2-(3-methoxy-2,2-dimethylbutyl)oxetane?
The InChIKey is YRLGAXFGSWYLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-8(11-4)10(2,3)7-9-5-6-12-9/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-(3-methoxy-2,2-dimethylbutyl)oxetane?
2-(3-methoxy-2,2-dimethylbutyl)oxetane has a molecular weight of 172.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2,2-dimethylbutyl)oxetane is sourced from PubChem (CID 91216506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).