oxolan-2-ylmethanol;hydrochloride

C5H11ClO2 — CID 155166529

IUPACoxolan-2-ylmethanol;hydrochloride
SMILESCl.OCC1CCCO1
InChIInChI=1S/C5H10O2.ClH/c6-4-5-2-1-3-7-5;/h5-6H,1-4H2;1H
InChIKeyBKAFAKXTRWFDEM-UHFFFAOYSA-N
MW138.59 g/mol
LogP0.58
Rot. Bonds1

About oxolan-2-ylmethanol;hydrochloride

oxolan-2-ylmethanol;hydrochloride (PubChem CID 155166529) has the molecular formula C5H11ClO2 and a molecular weight of 138.59 g/mol. Its IUPAC name is oxolan-2-ylmethanol;hydrochloride.

Molecular Properties

Compound Nameoxolan-2-ylmethanol;hydrochloride
PubChem CID155166529
Molecular FormulaC5H11ClO2
Molecular Weight138.59 g/mol
Exact Mass138.04
IUPAC Nameoxolan-2-ylmethanol;hydrochloride
SMILESCl.OCC1CCCO1
InChIInChI=1S/C5H10O2.ClH/c6-4-5-2-1-3-7-5;/h5-6H,1-4H2;1H
InChIKeyBKAFAKXTRWFDEM-UHFFFAOYSA-N
XLogP0.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.59
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

hydron;oxolan-2-ylmethanol
CID 174439667
methanol;[(2S)-oxolan-2-yl]methanol
CID 144618761
calcium;hydride;oxolan-2-ylmethanol
CID 173198677
[(2S)-oxan-2-yl]methanol
CID 6950811
oxane;oxolan-2-ylmethanol
CID 70368060
carbonochloridic acid;oxolan-2-ylmethanol
CID 161118728
ethanol;oxan-2-ylmethanol
CID 66900182
ethane;[(2S)-oxan-2-yl]methanol;hydrate
CID 168916263
2-ethoxyoxolane;oxolan-2-ylmethanol
CID 160542333
methylcyclohexane;oxan-2-ylmethanol
CID 143263270
2-ethoxyethanol;oxolan-2-ylmethanol
CID 70426292
ethane;methanol;2-methyloxane;oxan-2-ylmethanol
CID 159746076

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethanol;hydrochloride?
The IUPAC name of oxolan-2-ylmethanol;hydrochloride (CID 155166529) is oxolan-2-ylmethanol;hydrochloride.
What is the SMILES notation for oxolan-2-ylmethanol;hydrochloride?
The canonical SMILES for oxolan-2-ylmethanol;hydrochloride is Cl.OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethanol;hydrochloride?
The InChIKey is BKAFAKXTRWFDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.ClH/c6-4-5-2-1-3-7-5;/h5-6H,1-4H2;1H.
What are the key properties of oxolan-2-ylmethanol;hydrochloride?
oxolan-2-ylmethanol;hydrochloride has a molecular weight of 138.59 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethanol;hydrochloride is sourced from PubChem (CID 155166529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).