ethane;3-ethyl-3-methyloxane

C10H22O — CID 144986599

IUPACethane;3-ethyl-3-methyloxane
SMILESCC.CCC1(C)CCCOC1
InChIInChI=1S/C8H16O.C2H6/c1-3-8(2)5-4-6-9-7-8;1-2/h3-7H2,1-2H3;1-2H3
InChIKeyZATKJJUOGUGRJB-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.24
Rot. Bonds1

About ethane;3-ethyl-3-methyloxane

ethane;3-ethyl-3-methyloxane (PubChem CID 144986599) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is ethane;3-ethyl-3-methyloxane.

Molecular Properties

Compound Nameethane;3-ethyl-3-methyloxane
PubChem CID144986599
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Nameethane;3-ethyl-3-methyloxane
SMILESCC.CCC1(C)CCCOC1
InChIInChI=1S/C8H16O.C2H6/c1-3-8(2)5-4-6-9-7-8;1-2/h3-7H2,1-2H3;1-2H3
InChIKeyZATKJJUOGUGRJB-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyltetrahydro-2H-pyran
CID 13451149
3,3,5,5-Tetramethyl-2,3,5,6-tetrahydropyran-
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4-Methyl-4-propyloxane
CID 57602887
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 ethane;3-ethyl-3-methyloxane?
The IUPAC name of ethane;3-ethyl-3-methyloxane (CID 144986599) is ethane;3-ethyl-3-methyloxane.
What is the SMILES notation for ethane;3-ethyl-3-methyloxane?
The canonical SMILES for ethane;3-ethyl-3-methyloxane is CC.CCC1(C)CCCOC1.
What is the InChIKey of ethane;3-ethyl-3-methyloxane?
The InChIKey is ZATKJJUOGUGRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C2H6/c1-3-8(2)5-4-6-9-7-8;1-2/h3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;3-ethyl-3-methyloxane?
ethane;3-ethyl-3-methyloxane has a molecular weight of 158.28 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-3-methyloxane is sourced from PubChem (CID 144986599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).