4-tert-butyl-3-methoxy-3-methyloxolane

C10H20O2 — CID 164933907

IUPAC4-tert-butyl-3-methoxy-3-methyloxolane
SMILESCOC1(C)COCC1C(C)(C)C
InChIInChI=1S/C10H20O2/c1-9(2,3)8-6-12-7-10(8,4)11-5/h8H,6-7H2,1-5H3
InChIKeyNWXHCWWBTTXJIJ-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.08
Rot. Bonds1

About 4-tert-butyl-3-methoxy-3-methyloxolane

4-tert-butyl-3-methoxy-3-methyloxolane (PubChem CID 164933907) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-tert-butyl-3-methoxy-3-methyloxolane.

Molecular Properties

Compound Name4-tert-butyl-3-methoxy-3-methyloxolane
PubChem CID164933907
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name4-tert-butyl-3-methoxy-3-methyloxolane
SMILESCOC1(C)COCC1C(C)(C)C
InChIInChI=1S/C10H20O2/c1-9(2,3)8-6-12-7-10(8,4)11-5/h8H,6-7H2,1-5H3
InChIKeyNWXHCWWBTTXJIJ-UHFFFAOYSA-N
XLogP2.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-tert-butyl-1-methoxycyclopropyl]oxy-trimethylsilane
CID 101216341
2-methyl-2-[(9S)-1,4,7-trioxaspiro[4.4]nonan-9-yl]propan-1-amine
CID 125181068
6-tert-butyl-6-methoxy-2-oxaspiro[3.3]heptane
CID 162475470
4,4-dimethyloxolan-3-amine;hydrochloride
CID 67002020
CID 89348899
CID 89348899
1,2-ditert-butyl-1-methylcyclopropane
CID 58388728
tert-butyl 2-[(4S)-4-hydroxy-4-methyloxolan-3-yl]acetate
CID 161354279
methyl 4-amino-3-[(4-methoxy-4-methyloxolan-3-yl)amino]benzoate
CID 166088650
(4R)-4-ethyl-3,3-dimethyloxolane
CID 166089274
2-(2-methoxy-2-methylpropyl)oxirane
CID 18626422
(4S)-4-tert-butyl-2,2-dimethyloxolane
CID 59883974
2-methyl-2-[(9S)-1,4,7-trioxaspiro[4.4]nonan-9-yl]propanenitrile
CID 125181007

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-methoxy-3-methyloxolane?
The IUPAC name of 4-tert-butyl-3-methoxy-3-methyloxolane (CID 164933907) is 4-tert-butyl-3-methoxy-3-methyloxolane.
What is the SMILES notation for 4-tert-butyl-3-methoxy-3-methyloxolane?
The canonical SMILES for 4-tert-butyl-3-methoxy-3-methyloxolane is COC1(C)COCC1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-methoxy-3-methyloxolane?
The InChIKey is NWXHCWWBTTXJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(2,3)8-6-12-7-10(8,4)11-5/h8H,6-7H2,1-5H3.
What are the key properties of 4-tert-butyl-3-methoxy-3-methyloxolane?
4-tert-butyl-3-methoxy-3-methyloxolane has a molecular weight of 172.27 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-methoxy-3-methyloxolane is sourced from PubChem (CID 164933907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).