2-ethyl-5,5-dimethyloxane;2-ethyloxane

C16H32O2 — CID 165124837

IUPAC2-ethyl-5,5-dimethyloxane;2-ethyloxane
SMILESCCC1CCC(C)(C)CO1.CCC1CCCCO1
InChIInChI=1S/C9H18O.C7H14O/c1-4-8-5-6-9(2,3)7-10-8;1-2-7-5-3-4-6-8-7/h8H,4-7H2,1-3H3;7H,2-6H2,1H3
InChIKeyPDOYFGWCFSQWDN-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.57
Rot. Bonds2

About 2-ethyl-5,5-dimethyloxane;2-ethyloxane

2-ethyl-5,5-dimethyloxane;2-ethyloxane (PubChem CID 165124837) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-ethyl-5,5-dimethyloxane;2-ethyloxane.

Molecular Properties

Compound Name2-ethyl-5,5-dimethyloxane;2-ethyloxane
PubChem CID165124837
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name2-ethyl-5,5-dimethyloxane;2-ethyloxane
SMILESCCC1CCC(C)(C)CO1.CCC1CCCCO1
InChIInChI=1S/C9H18O.C7H14O/c1-4-8-5-6-9(2,3)7-10-8;1-2-7-5-3-4-6-8-7/h8H,4-7H2,1-3H3;7H,2-6H2,1H3
InChIKeyPDOYFGWCFSQWDN-UHFFFAOYSA-N
XLogP4.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-ethyloxolane
CID 641529
azane;2-ethyloxolane
CID 174465001
2-(bromomethyl)-5,5-dimethyloxane
CID 134690899
2-ethyloxolane;trifluoroborane
CID 175114476
ethane;2-ethyloxane;1-(3-methylbutan-2-yl)cyclobutan-1-ol
CID 171644009
5-ethyl-2-methyl-1,4-dioxocane
CID 161066781
ethane;3-ethyl-2,9-dioxaspiro[5.5]undecane
CID 178155976
3,3-dimethyl-N-[2-(oxan-2-yl)ethyl]cyclopentan-1-amine
CID 104537106
ethanol;oxan-2-ylmethanol
CID 66900182
2-[[(2R)-2-methyloxolan-2-yl]methyl]oxane
CID 102007919
(2S)-2-methyl-2-(oxan-2-ylmethyl)oxane
CID 102007923
2-[[(2S)-2-methyloxolan-2-yl]methyl]oxane
CID 102007920

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,5-dimethyloxane;2-ethyloxane?
The IUPAC name of 2-ethyl-5,5-dimethyloxane;2-ethyloxane (CID 165124837) is 2-ethyl-5,5-dimethyloxane;2-ethyloxane.
What is the SMILES notation for 2-ethyl-5,5-dimethyloxane;2-ethyloxane?
The canonical SMILES for 2-ethyl-5,5-dimethyloxane;2-ethyloxane is CCC1CCC(C)(C)CO1.CCC1CCCCO1.
What is the InChIKey of 2-ethyl-5,5-dimethyloxane;2-ethyloxane?
The InChIKey is PDOYFGWCFSQWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O.C7H14O/c1-4-8-5-6-9(2,3)7-10-8;1-2-7-5-3-4-6-8-7/h8H,4-7H2,1-3H3;7H,2-6H2,1H3.
What are the key properties of 2-ethyl-5,5-dimethyloxane;2-ethyloxane?
2-ethyl-5,5-dimethyloxane;2-ethyloxane has a molecular weight of 256.43 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,5-dimethyloxane;2-ethyloxane is sourced from PubChem (CID 165124837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).