ethane;(3R)-oxolan-3-ol

C6H14O2 — CID 145226146

IUPACethane;(3R)-oxolan-3-ol
SMILESCC.O[C@@H]1CCOC1
InChIInChI=1S/C4H8O2.C2H6/c5-4-1-2-6-3-4;1-2/h4-5H,1-3H2;1-2H3/t4-;/m1./s1
InChIKeyKKTIIQWFDYHUMG-PGMHMLKASA-N
MW118.18 g/mol
LogP0.79
Rot. Bonds

About ethane;(3R)-oxolan-3-ol

ethane;(3R)-oxolan-3-ol (PubChem CID 145226146) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is ethane;(3R)-oxolan-3-ol.

Molecular Properties

Compound Nameethane;(3R)-oxolan-3-ol
PubChem CID145226146
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Nameethane;(3R)-oxolan-3-ol
SMILESCC.O[C@@H]1CCOC1
InChIInChI=1S/C4H8O2.C2H6/c5-4-1-2-6-3-4;1-2/h4-5H,1-3H2;1-2H3/t4-;/m1./s1
InChIKeyKKTIIQWFDYHUMG-PGMHMLKASA-N
XLogP0.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-oxolan-3-ol;hydrochloride
CID 101043602
oxolan-3-ol;propane
CID 144858845
ethane;oxepane-3,5-diol
CID 176685419
ethane;methanol;oxepan-3-ol;propane
CID 176685478
6-fluorooxepan-4-ol
CID 176685604
5-fluoro-2-methylphenol;oxolan-3-ol
CID 144854815
oxolan-3-ol;pyridin-4-ylmethanol
CID 174914238
ethane;4-methyl-1,4-oxazepan-6-ol
CID 169236342
acetic acid;1,4,7,10,13,16-hexaoxacyclononadecan-18-ol
CID 71403215
3-methyloxetane;oxetan-3-ol
CID 159981362
(3R)-3-(4-bromo-3,5-dimethylphenoxy)oxolane;(3S)-oxolan-3-ol
CID 159598588
(3S,5S)-5-hydroxyoxepane-3-carboxylic acid
CID 68653290

Frequently Asked Questions

What is the IUPAC name of ethane;(3R)-oxolan-3-ol?
The IUPAC name of ethane;(3R)-oxolan-3-ol (CID 145226146) is ethane;(3R)-oxolan-3-ol.
What is the SMILES notation for ethane;(3R)-oxolan-3-ol?
The canonical SMILES for ethane;(3R)-oxolan-3-ol is CC.O[C@@H]1CCOC1.
What is the InChIKey of ethane;(3R)-oxolan-3-ol?
The InChIKey is KKTIIQWFDYHUMG-PGMHMLKASA-N. The full InChI is InChI=1S/C4H8O2.C2H6/c5-4-1-2-6-3-4;1-2/h4-5H,1-3H2;1-2H3/t4-;/m1./s1.
What are the key properties of ethane;(3R)-oxolan-3-ol?
ethane;(3R)-oxolan-3-ol has a molecular weight of 118.18 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3R)-oxolan-3-ol is sourced from PubChem (CID 145226146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).