3-(3-methylbutoxy)oxane

C10H20O2 — CID 14080834

IUPAC3-(3-methylbutoxy)oxane
SMILESCC(C)CCOC1CCCOC1
InChIInChI=1S/C10H20O2/c1-9(2)5-7-12-10-4-3-6-11-8-10/h9-10H,3-8H2,1-2H3
InChIKeyIHAMNLNCWFOWOY-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds4

About 3-(3-methylbutoxy)oxane

3-(3-methylbutoxy)oxane (PubChem CID 14080834) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-(3-methylbutoxy)oxane.

Molecular Properties

Compound Name3-(3-methylbutoxy)oxane
PubChem CID14080834
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-(3-methylbutoxy)oxane
SMILESCC(C)CCOC1CCCOC1
InChIInChI=1S/C10H20O2/c1-9(2)5-7-12-10-4-3-6-11-8-10/h9-10H,3-8H2,1-2H3
InChIKeyIHAMNLNCWFOWOY-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

3,4,5-Trimethoxy-tetrahydro-pyran
CID 526845
(5-Methyloxan-3-yl) hypofluorite
CID 177199357
1,5-Anhydro-2,3,4-tri-O-methyl-L-arabinitol
CID 6428184
1,5-Anhydro-2,3,4-tri-O-methyl-D-ribitol
CID 6428301
3-(3-Methylbut-1-ynoxy)oxane
CID 20554885
2,3-Di(propan-2-yl)-1,4-dioxane
CID 20593307
3-(Oxolan-3-ylmethoxy)oxane
CID 20725396
(3S,5S)-3,4,5-trimethoxyoxane
CID 20837708
1,2-Diethoxy-3-(ethoxymethyl)pentane
CID 21051621
3-Propan-2-yloxyoxane
CID 21353722
3-Methoxy-4,4-dimethyloxane
CID 23533609
3-(2-Methylpropoxy)oxane
CID 53758540

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutoxy)oxane?
The IUPAC name of 3-(3-methylbutoxy)oxane (CID 14080834) is 3-(3-methylbutoxy)oxane.
What is the SMILES notation for 3-(3-methylbutoxy)oxane?
The canonical SMILES for 3-(3-methylbutoxy)oxane is CC(C)CCOC1CCCOC1.
What is the InChIKey of 3-(3-methylbutoxy)oxane?
The InChIKey is IHAMNLNCWFOWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(2)5-7-12-10-4-3-6-11-8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-(3-methylbutoxy)oxane?
3-(3-methylbutoxy)oxane 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 3-(3-methylbutoxy)oxane is sourced from PubChem (CID 14080834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).