ethane;[(2S)-oxan-2-yl]methanol;hydrate

C10H26O3 — CID 168916263

IUPACethane;[(2S)-oxan-2-yl]methanol;hydrate
SMILESCC.CC.O.OC[C@@H]1CCCCO1
InChIInChI=1S/C6H12O2.2C2H6.H2O/c7-5-6-3-1-2-4-8-6;2*1-2;/h6-7H,1-5H2;2*1-2H3;1H2/t6-;;;/m0.../s1
InChIKeySNGRYNDTMXVUGH-GSUNZCPGSA-N
MW194.31 g/mol
LogP1.78
Rot. Bonds1

About ethane;[(2S)-oxan-2-yl]methanol;hydrate

ethane;[(2S)-oxan-2-yl]methanol;hydrate (PubChem CID 168916263) has the molecular formula C10H26O3 and a molecular weight of 194.31 g/mol. Its IUPAC name is ethane;[(2S)-oxan-2-yl]methanol;hydrate.

Molecular Properties

Compound Nameethane;[(2S)-oxan-2-yl]methanol;hydrate
PubChem CID168916263
Molecular FormulaC10H26O3
Molecular Weight194.31 g/mol
Exact Mass194.19
IUPAC Nameethane;[(2S)-oxan-2-yl]methanol;hydrate
SMILESCC.CC.O.OC[C@@H]1CCCCO1
InChIInChI=1S/C6H12O2.2C2H6.H2O/c7-5-6-3-1-2-4-8-6;2*1-2;/h6-7H,1-5H2;2*1-2H3;1H2/t6-;;;/m0.../s1
InChIKeySNGRYNDTMXVUGH-GSUNZCPGSA-N
XLogP1.78
TPSA60.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-oxan-2-yl]methanol
CID 6950811
ethanol;oxan-2-ylmethanol
CID 66900182
ethane;methanol;2-methyloxane;oxan-2-ylmethanol
CID 159746076
methanol;[(2S)-oxolan-2-yl]methanol
CID 144618761
methylcyclohexane;oxan-2-ylmethanol
CID 143263270
oxolan-2-ylmethanol;hydrochloride
CID 155166529
hydron;oxolan-2-ylmethanol
CID 174439667
calcium;hydride;oxolan-2-ylmethanol
CID 173198677
oxane;oxolan-2-ylmethanol
CID 70368060
carbonochloridic acid;oxolan-2-ylmethanol
CID 161118728
(2S)-2-(bromomethyl)oxane
CID 13022883
2-ethoxyoxolane;oxolan-2-ylmethanol
CID 160542333

Frequently Asked Questions

What is the IUPAC name of ethane;[(2S)-oxan-2-yl]methanol;hydrate?
The IUPAC name of ethane;[(2S)-oxan-2-yl]methanol;hydrate (CID 168916263) is ethane;[(2S)-oxan-2-yl]methanol;hydrate.
What is the SMILES notation for ethane;[(2S)-oxan-2-yl]methanol;hydrate?
The canonical SMILES for ethane;[(2S)-oxan-2-yl]methanol;hydrate is CC.CC.O.OC[C@@H]1CCCCO1.
What is the InChIKey of ethane;[(2S)-oxan-2-yl]methanol;hydrate?
The InChIKey is SNGRYNDTMXVUGH-GSUNZCPGSA-N. The full InChI is InChI=1S/C6H12O2.2C2H6.H2O/c7-5-6-3-1-2-4-8-6;2*1-2;/h6-7H,1-5H2;2*1-2H3;1H2/t6-;;;/m0.../s1.
What are the key properties of ethane;[(2S)-oxan-2-yl]methanol;hydrate?
ethane;[(2S)-oxan-2-yl]methanol;hydrate has a molecular weight of 194.31 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(2S)-oxan-2-yl]methanol;hydrate is sourced from PubChem (CID 168916263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).