(2R,3S)-3-chloro-2-methyloxolane

C5H9ClO — CID 13296748

IUPAC(2R,3S)-3-chloro-2-methyloxolane
SMILESC[C@H]1OCC[C@@H]1Cl
InChIInChI=1S/C5H9ClO/c1-4-5(6)2-3-7-4/h4-5H,2-3H2,1H3/t4-,5+/m1/s1
InChIKeyNMGIAOGZUZGJBE-UHNVWZDZSA-N
MW120.58 g/mol
LogP1.40
Rot. Bonds

About (2R,3S)-3-chloro-2-methyloxolane

(2R,3S)-3-chloro-2-methyloxolane (PubChem CID 13296748) has the molecular formula C5H9ClO and a molecular weight of 120.58 g/mol. Its IUPAC name is (2R,3S)-3-chloro-2-methyloxolane.

Molecular Properties

Compound Name(2R,3S)-3-chloro-2-methyloxolane
PubChem CID13296748
Molecular FormulaC5H9ClO
Molecular Weight120.58 g/mol
Exact Mass120.03
IUPAC Name(2R,3S)-3-chloro-2-methyloxolane
SMILESC[C@H]1OCC[C@@H]1Cl
InChIInChI=1S/C5H9ClO/c1-4-5(6)2-3-7-4/h4-5H,2-3H2,1H3/t4-,5+/m1/s1
InChIKeyNMGIAOGZUZGJBE-UHNVWZDZSA-N
XLogP1.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.58
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-dichlorooxolane
CID 19025
(3R)-2,3-dimethyl-1,4-dioxane
CID 134576356
3-(difluoromethyl)-2-methyloxolane
CID 171762048
(3R)-2-methyloxolan-3-ol
CID 89032581
3-chloro-2-propyloxolane
CID 13494559
(2R,3S)-2-methyloxolane-3-sulfonyl chloride
CID 98113530
methanol;(2S,3R)-2,3,4-trimethyloxane
CID 145399685
3-chloro-2-(chloromethyl)oxolane
CID 174917237
3-chlorooxolane-2-carbonitrile
CID 524395
3-tert-butyl-2-methyloxolane;methane
CID 158649776
(3R)-2-methyloxolane-3-carboxylic acid
CID 54532975
(2S,3R)-2-methyloxolane-3-carbaldehyde
CID 92908099

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-chloro-2-methyloxolane?
The IUPAC name of (2R,3S)-3-chloro-2-methyloxolane (CID 13296748) is (2R,3S)-3-chloro-2-methyloxolane.
What is the SMILES notation for (2R,3S)-3-chloro-2-methyloxolane?
The canonical SMILES for (2R,3S)-3-chloro-2-methyloxolane is C[C@H]1OCC[C@@H]1Cl.
What is the InChIKey of (2R,3S)-3-chloro-2-methyloxolane?
The InChIKey is NMGIAOGZUZGJBE-UHNVWZDZSA-N. The full InChI is InChI=1S/C5H9ClO/c1-4-5(6)2-3-7-4/h4-5H,2-3H2,1H3/t4-,5+/m1/s1.
What are the key properties of (2R,3S)-3-chloro-2-methyloxolane?
(2R,3S)-3-chloro-2-methyloxolane has a molecular weight of 120.58 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-chloro-2-methyloxolane is sourced from PubChem (CID 13296748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).