(2R,3S,4S,5S)-3-chloro-2,4,5-trimethyloxolane

C7H13ClO — CID 125452921

IUPAC(2R,3S,4S,5S)-3-chloro-2,4,5-trimethyloxolane
SMILESC[C@@H]1[C@H](Cl)[C@@H](C)O[C@H]1C
InChIInChI=1S/C7H13ClO/c1-4-5(2)9-6(3)7(4)8/h4-7H,1-3H3/t4-,5-,6+,7-/m0/s1
InChIKeyIXIMASJNWQSGSC-YTLHQDLWSA-N
MW148.63 g/mol
LogP2.04
Rot. Bonds

About (2R,3S,4S,5S)-3-chloro-2,4,5-trimethyloxolane

(2R,3S,4S,5S)-3-chloro-2,4,5-trimethyloxolane (PubChem CID 125452921) has the molecular formula C7H13ClO and a molecular weight of 148.63 g/mol. Its IUPAC name is (2R,3S,4S,5S)-3-chloro-2,4,5-trimethyloxolane.

Molecular Properties

Compound Name(2R,3S,4S,5S)-3-chloro-2,4,5-trimethyloxolane
PubChem CID125452921
Molecular FormulaC7H13ClO
Molecular Weight148.63 g/mol
Exact Mass148.07
IUPAC Name(2R,3S,4S,5S)-3-chloro-2,4,5-trimethyloxolane
SMILESC[C@@H]1[C@H](Cl)[C@@H](C)O[C@H]1C
InChIInChI=1S/C7H13ClO/c1-4-5(2)9-6(3)7(4)8/h4-7H,1-3H3/t4-,5-,6+,7-/m0/s1
InChIKeyIXIMASJNWQSGSC-YTLHQDLWSA-N
XLogP2.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.63
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-3-chloro-2,4,5-trimethyloxolane?
The IUPAC name of (2R,3S,4S,5S)-3-chloro-2,4,5-trimethyloxolane (CID 125452921) is (2R,3S,4S,5S)-3-chloro-2,4,5-trimethyloxolane.
What is the SMILES notation for (2R,3S,4S,5S)-3-chloro-2,4,5-trimethyloxolane?
The canonical SMILES for (2R,3S,4S,5S)-3-chloro-2,4,5-trimethyloxolane is C[C@@H]1[C@H](Cl)[C@@H](C)O[C@H]1C.
What is the InChIKey of (2R,3S,4S,5S)-3-chloro-2,4,5-trimethyloxolane?
The InChIKey is IXIMASJNWQSGSC-YTLHQDLWSA-N. The full InChI is InChI=1S/C7H13ClO/c1-4-5(2)9-6(3)7(4)8/h4-7H,1-3H3/t4-,5-,6+,7-/m0/s1.
What are the key properties of (2R,3S,4S,5S)-3-chloro-2,4,5-trimethyloxolane?
(2R,3S,4S,5S)-3-chloro-2,4,5-trimethyloxolane has a molecular weight of 148.63 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-3-chloro-2,4,5-trimethyloxolane is sourced from PubChem (CID 125452921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).