(2R,3R)-4-chloro-2-(hydroxymethyl)-4-methyloxolan-3-ol

C6H11ClO3 — CID 150843883

IUPAC(2R,3R)-4-chloro-2-(hydroxymethyl)-4-methyloxolan-3-ol
SMILESCC1(Cl)CO[C@H](CO)[C@H]1O
InChIInChI=1S/C6H11ClO3/c1-6(7)3-10-4(2-8)5(6)9/h4-5,8-9H,2-3H2,1H3/t4-,5-,6?/m1/s1
InChIKeyKOOSLEPLLJEBLY-QYRBDRAASA-N
MW166.60 g/mol
LogP-0.26
Rot. Bonds1

About (2R,3R)-4-chloro-2-(hydroxymethyl)-4-methyloxolan-3-ol

(2R,3R)-4-chloro-2-(hydroxymethyl)-4-methyloxolan-3-ol (PubChem CID 150843883) has the molecular formula C6H11ClO3 and a molecular weight of 166.60 g/mol. Its IUPAC name is (2R,3R)-4-chloro-2-(hydroxymethyl)-4-methyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3R)-4-chloro-2-(hydroxymethyl)-4-methyloxolan-3-ol
PubChem CID150843883
Molecular FormulaC6H11ClO3
Molecular Weight166.60 g/mol
Exact Mass166.04
IUPAC Name(2R,3R)-4-chloro-2-(hydroxymethyl)-4-methyloxolan-3-ol
SMILESCC1(Cl)CO[C@H](CO)[C@H]1O
InChIInChI=1S/C6H11ClO3/c1-6(7)3-10-4(2-8)5(6)9/h4-5,8-9H,2-3H2,1H3/t4-,5-,6?/m1/s1
InChIKeyKOOSLEPLLJEBLY-QYRBDRAASA-N
XLogP-0.26
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.60
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol
CID 91038054
(3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol
CID 91418847
(2R,3R,4S,5R)-2-(hydroxymethyl)-5-iodooxane-3,4,5-triol
CID 91589098
(2R,4R,5S)-2-(hydroxymethyl)-4-methyloxane-3,4,5-triol
CID 91029782
(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]-2-(hydroxymethyl)oxolane-3,4-diol
CID 56997357
4-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol
CID 91145820
(4R,5S)-6-(hydroxymethyl)oxane-3,3,4,5-tetrol
CID 59927511
CID 87157763
CID 87157763
N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 69476720
[(3aS,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol
CID 143157562
1-[(3S,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone
CID 18650344
N-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 54288562

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-chloro-2-(hydroxymethyl)-4-methyloxolan-3-ol?
The IUPAC name of (2R,3R)-4-chloro-2-(hydroxymethyl)-4-methyloxolan-3-ol (CID 150843883) is (2R,3R)-4-chloro-2-(hydroxymethyl)-4-methyloxolan-3-ol.
What is the SMILES notation for (2R,3R)-4-chloro-2-(hydroxymethyl)-4-methyloxolan-3-ol?
The canonical SMILES for (2R,3R)-4-chloro-2-(hydroxymethyl)-4-methyloxolan-3-ol is CC1(Cl)CO[C@H](CO)[C@H]1O.
What is the InChIKey of (2R,3R)-4-chloro-2-(hydroxymethyl)-4-methyloxolan-3-ol?
The InChIKey is KOOSLEPLLJEBLY-QYRBDRAASA-N. The full InChI is InChI=1S/C6H11ClO3/c1-6(7)3-10-4(2-8)5(6)9/h4-5,8-9H,2-3H2,1H3/t4-,5-,6?/m1/s1.
What are the key properties of (2R,3R)-4-chloro-2-(hydroxymethyl)-4-methyloxolan-3-ol?
(2R,3R)-4-chloro-2-(hydroxymethyl)-4-methyloxolan-3-ol has a molecular weight of 166.60 g/mol, XLogP of -0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-chloro-2-(hydroxymethyl)-4-methyloxolan-3-ol is sourced from PubChem (CID 150843883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).