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

C4H9ClO2 — CID 101043602

IUPAC(3R)-oxolan-3-ol;hydrochloride
SMILESCl.O[C@@H]1CCOC1
InChIInChI=1S/C4H8O2.ClH/c5-4-1-2-6-3-4;/h4-5H,1-3H2;1H/t4-;/m1./s1
InChIKeySPWHBVXUIQJHAA-PGMHMLKASA-N
MW124.57 g/mol
LogP0.19
Rot. Bonds

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

(3R)-oxolan-3-ol;hydrochloride (PubChem CID 101043602) has the molecular formula C4H9ClO2 and a molecular weight of 124.57 g/mol. Its IUPAC name is (3R)-oxolan-3-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-oxolan-3-ol;hydrochloride
PubChem CID101043602
Molecular FormulaC4H9ClO2
Molecular Weight124.57 g/mol
Exact Mass124.03
IUPAC Name(3R)-oxolan-3-ol;hydrochloride
SMILESCl.O[C@@H]1CCOC1
InChIInChI=1S/C4H8O2.ClH/c5-4-1-2-6-3-4;/h4-5H,1-3H2;1H/t4-;/m1./s1
InChIKeySPWHBVXUIQJHAA-PGMHMLKASA-N
XLogP0.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.57
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(3R)-oxolan-3-ol
CID 145226146
oxolan-3-ol;propane
CID 144858845
ethane;oxepane-3,5-diol
CID 176685419
6-fluorooxepan-4-ol
CID 176685604
oxolan-3-ol;pyridin-4-ylmethanol
CID 174914238
(3S,5S)-5-hydroxyoxepane-3-carboxylic acid
CID 68653290
ethane;methanol;oxepan-3-ol;propane
CID 176685478
5-fluoro-2-methylphenol;oxolan-3-ol
CID 144854815
(1R,6R,7S)-3-oxabicyclo[4.1.0]heptan-7-ol
CID 178200312
CID 170516792
CID 170516792
(3S)-3-[(2R)-oxiran-2-yl]oxolane
CID 94590793
(3R)-3-(4-bromo-3,5-dimethylphenoxy)oxolane;(3S)-oxolan-3-ol
CID 159598588

Frequently Asked Questions

What is the IUPAC name of (3R)-oxolan-3-ol;hydrochloride?
The IUPAC name of (3R)-oxolan-3-ol;hydrochloride (CID 101043602) is (3R)-oxolan-3-ol;hydrochloride.
What is the SMILES notation for (3R)-oxolan-3-ol;hydrochloride?
The canonical SMILES for (3R)-oxolan-3-ol;hydrochloride is Cl.O[C@@H]1CCOC1.
What is the InChIKey of (3R)-oxolan-3-ol;hydrochloride?
The InChIKey is SPWHBVXUIQJHAA-PGMHMLKASA-N. The full InChI is InChI=1S/C4H8O2.ClH/c5-4-1-2-6-3-4;/h4-5H,1-3H2;1H/t4-;/m1./s1.
What are the key properties of (3R)-oxolan-3-ol;hydrochloride?
(3R)-oxolan-3-ol;hydrochloride has a molecular weight of 124.57 g/mol, XLogP of 0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-oxolan-3-ol;hydrochloride is sourced from PubChem (CID 101043602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).