ethane;2-(oxan-2-yloxy)ethanol

C9H20O3 — CID 143259213

IUPACethane;2-(oxan-2-yloxy)ethanol
SMILESCC.OCCOC1CCCCO1
InChIInChI=1S/C7H14O3.C2H6/c8-4-6-10-7-3-1-2-5-9-7;1-2/h7-8H,1-6H2;1-2H3
InChIKeyONILJYVHPDSBLP-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.55
Rot. Bonds3

About ethane;2-(oxan-2-yloxy)ethanol

ethane;2-(oxan-2-yloxy)ethanol (PubChem CID 143259213) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is ethane;2-(oxan-2-yloxy)ethanol.

Molecular Properties

Compound Nameethane;2-(oxan-2-yloxy)ethanol
PubChem CID143259213
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Nameethane;2-(oxan-2-yloxy)ethanol
SMILESCC.OCCOC1CCCCO1
InChIInChI=1S/C7H14O3.C2H6/c8-4-6-10-7-3-1-2-5-9-7;1-2/h7-8H,1-6H2;1-2H3
InChIKeyONILJYVHPDSBLP-UHFFFAOYSA-N
XLogP1.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 119058274
2-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 124522873
2-[2-(oxan-2-yloxy)ethoxy]ethanol;2-(2-propoxyethoxy)oxane
CID 160999917
2-[2-hydroxyethyl(methyl)amino]ethanol;2-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]ethanol
CID 68855298
3-[methyl-[2-[(2S)-oxan-2-yl]oxyethyl]amino]propan-1-ol
CID 146469318
2-(12-bromododecoxy)oxane
CID 11078592
5-[(2S)-oxan-2-yl]oxypent-2-yn-1-ol
CID 99460007
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-octacosoxyoxane
CID 11214102
zinc 2-(3-bromopropoxy)oxane
CID 175895645
2-methyl-6-(oxan-2-yloxy)hexan-2-ol
CID 10727469
(5Z,14Z)-19-(oxan-2-yloxy)nonadeca-5,14-dien-1-ol
CID 153316547

Frequently Asked Questions

What is the IUPAC name of ethane;2-(oxan-2-yloxy)ethanol?
The IUPAC name of ethane;2-(oxan-2-yloxy)ethanol (CID 143259213) is ethane;2-(oxan-2-yloxy)ethanol.
What is the SMILES notation for ethane;2-(oxan-2-yloxy)ethanol?
The canonical SMILES for ethane;2-(oxan-2-yloxy)ethanol is CC.OCCOC1CCCCO1.
What is the InChIKey of ethane;2-(oxan-2-yloxy)ethanol?
The InChIKey is ONILJYVHPDSBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3.C2H6/c8-4-6-10-7-3-1-2-5-9-7;1-2/h7-8H,1-6H2;1-2H3.
What are the key properties of ethane;2-(oxan-2-yloxy)ethanol?
ethane;2-(oxan-2-yloxy)ethanol has a molecular weight of 176.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(oxan-2-yloxy)ethanol is sourced from PubChem (CID 143259213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).