4-tert-butyl-3-methoxyoxane

C10H20O2 — CID 76667382

IUPAC4-tert-butyl-3-methoxyoxane
SMILESCOC1COCCC1C(C)(C)C
InChIInChI=1S/C10H20O2/c1-10(2,3)8-5-6-12-7-9(8)11-4/h8-9H,5-7H2,1-4H3
InChIKeyACAJPLMYZZTANB-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.08
Rot. Bonds1

About 4-tert-butyl-3-methoxyoxane

4-tert-butyl-3-methoxyoxane (PubChem CID 76667382) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-tert-butyl-3-methoxyoxane.

Molecular Properties

Compound Name4-tert-butyl-3-methoxyoxane
PubChem CID76667382
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name4-tert-butyl-3-methoxyoxane
SMILESCOC1COCCC1C(C)(C)C
InChIInChI=1S/C10H20O2/c1-10(2,3)8-5-6-12-7-9(8)11-4/h8-9H,5-7H2,1-4H3
InChIKeyACAJPLMYZZTANB-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

4-(Methoxymethyl)-4-propan-2-yloxane
CID 57762514
2-(2-Methylpropyl)-1,4-dioxane
CID 58664926
3-Methoxy-4,5-dimethyloxane
CID 90994614
2-Ethyl-6-(2-methylpropyl)-1,4-dioxane
CID 123367654
3-Ethoxy-4-methyloxane
CID 142658101
4-(1-Ethoxyethyl)-4-methyloxane
CID 155428832
(3R,4S)-4-butan-2-yl-3-methoxyoxane
CID 178417275
3-(3-Methylbutoxy)oxane
CID 14080834
3-Methoxy-2,4,5,6-tetramethyloxane
CID 20665553
3-Methoxy-4,4-dimethyloxane
CID 23533609
2-Pentan-3-yl-1,4-dioxane
CID 54338199
3-Butoxy-4-(2-methylpropyl)oxane
CID 57001488

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-methoxyoxane?
The IUPAC name of 4-tert-butyl-3-methoxyoxane (CID 76667382) is 4-tert-butyl-3-methoxyoxane.
What is the SMILES notation for 4-tert-butyl-3-methoxyoxane?
The canonical SMILES for 4-tert-butyl-3-methoxyoxane is COC1COCCC1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-methoxyoxane?
The InChIKey is ACAJPLMYZZTANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-10(2,3)8-5-6-12-7-9(8)11-4/h8-9H,5-7H2,1-4H3.
What are the key properties of 4-tert-butyl-3-methoxyoxane?
4-tert-butyl-3-methoxyoxane 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-methoxyoxane is sourced from PubChem (CID 76667382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).