3-ethyl-3-methyloxane;methane

C9H20O — CID 161043883

IUPAC3-ethyl-3-methyloxane;methane
SMILESC.CCC1(C)CCCOC1
InChIInChI=1S/C8H16O.CH4/c1-3-8(2)5-4-6-9-7-8;/h3-7H2,1-2H3;1H4
InChIKeyUBFYMIIFUNDDSS-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.85
Rot. Bonds1

About 3-ethyl-3-methyloxane;methane

3-ethyl-3-methyloxane;methane (PubChem CID 161043883) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 3-ethyl-3-methyloxane;methane.

Molecular Properties

Compound Name3-ethyl-3-methyloxane;methane
PubChem CID161043883
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name3-ethyl-3-methyloxane;methane
SMILESC.CCC1(C)CCCOC1
InChIInChI=1S/C8H16O.CH4/c1-3-8(2)5-4-6-9-7-8;/h3-7H2,1-2H3;1H4
InChIKeyUBFYMIIFUNDDSS-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 13451149
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5-Trimethyl oxane
CID 58787548
(3S)-3,4-ditert-butyl-5-(fluoromethyl)oxane
CID 89936032
4-Tert-butyl-4-fluorooxane
CID 126576655
6-(3,3-Dimethylbutoxy)-1-fluoro-3,3-dimethylhexane
CID 135291325
4-(2,2-Dimethylpropyl)-4-fluorooxane
CID 156272030
4-(Difluoromethyl)-4-(2,2-dimethylpropyl)oxane
CID 176824931
3,3,5-Trimethyloxane
CID 14671579
3-Propyloxane
CID 19892413
2,3,5-Trimethyloxane
CID 59959641

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyloxane;methane?
The IUPAC name of 3-ethyl-3-methyloxane;methane (CID 161043883) is 3-ethyl-3-methyloxane;methane.
What is the SMILES notation for 3-ethyl-3-methyloxane;methane?
The canonical SMILES for 3-ethyl-3-methyloxane;methane is C.CCC1(C)CCCOC1.
What is the InChIKey of 3-ethyl-3-methyloxane;methane?
The InChIKey is UBFYMIIFUNDDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.CH4/c1-3-8(2)5-4-6-9-7-8;/h3-7H2,1-2H3;1H4.
What are the key properties of 3-ethyl-3-methyloxane;methane?
3-ethyl-3-methyloxane;methane has a molecular weight of 144.26 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyloxane;methane is sourced from PubChem (CID 161043883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).