(2R,5R)-2-(2,2-dichloroethyl)-5-propan-2-yloxolane

C9H16Cl2O — CID 642405

IUPAC(2R,5R)-2-(2,2-dichloroethyl)-5-propan-2-yloxolane
SMILESCC(C)[C@H]1CC[C@H](CC(Cl)Cl)O1
InChIInChI=1S/C9H16Cl2O/c1-6(2)8-4-3-7(12-8)5-9(10)11/h6-9H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyFGFMPRYQCUXPOK-HTQZYQBOSA-N
MW211.13 g/mol
LogP3.38
Rot. Bonds3

About (2R,5R)-2-(2,2-dichloroethyl)-5-propan-2-yloxolane

(2R,5R)-2-(2,2-dichloroethyl)-5-propan-2-yloxolane (PubChem CID 642405) has the molecular formula C9H16Cl2O and a molecular weight of 211.13 g/mol. Its IUPAC name is (2R,5R)-2-(2,2-dichloroethyl)-5-propan-2-yloxolane.

Molecular Properties

Compound Name(2R,5R)-2-(2,2-dichloroethyl)-5-propan-2-yloxolane
PubChem CID642405
Molecular FormulaC9H16Cl2O
Molecular Weight211.13 g/mol
Exact Mass210.06
IUPAC Name(2R,5R)-2-(2,2-dichloroethyl)-5-propan-2-yloxolane
SMILESCC(C)[C@H]1CC[C@H](CC(Cl)Cl)O1
InChIInChI=1S/C9H16Cl2O/c1-6(2)8-4-3-7(12-8)5-9(10)11/h6-9H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyFGFMPRYQCUXPOK-HTQZYQBOSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.13
LogP ≤ 53.38
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

4-t-Butyl-2-(2,2-dichloro-ethyl)-tetrahydro-furan
CID 15748896
(2R,4S)-2-(2,2-dichloroethyl)-4-methyloxolane
CID 642406
5-(2,2-Dichloroethyl)-2,2-dimethyloxolane
CID 14027495
2-(2,2-Dichloroethyl)-4-methyloxolane
CID 15748894
2-Chloro-4-ethyl-3-(2-ethylhexyl)oxolane
CID 23124348
2-Chloro-3-(2-ethylhexyl)-4-methyloxolane
CID 23124350
2-Chloro-4-ethyl-3-(3-methylbutyl)oxolane
CID 23124376
2-Chloro-3-(2-ethylhexyl)oxolane
CID 23124503
2-(1-Chloropentan-2-yl)oxolane
CID 165446589
(2S,3R,5S)-2-(3-chloropropyl)-3-methyl-5-(2-methylpropyl)oxolane
CID 168204434
2-(4-Chlorobutoxy)-6-methylheptane
CID 172308521
1,1-Dichloro-3-methyl-3-propan-2-yloxydecane
CID 177309833

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-(2,2-dichloroethyl)-5-propan-2-yloxolane?
The IUPAC name of (2R,5R)-2-(2,2-dichloroethyl)-5-propan-2-yloxolane (CID 642405) is (2R,5R)-2-(2,2-dichloroethyl)-5-propan-2-yloxolane.
What is the SMILES notation for (2R,5R)-2-(2,2-dichloroethyl)-5-propan-2-yloxolane?
The canonical SMILES for (2R,5R)-2-(2,2-dichloroethyl)-5-propan-2-yloxolane is CC(C)[C@H]1CC[C@H](CC(Cl)Cl)O1.
What is the InChIKey of (2R,5R)-2-(2,2-dichloroethyl)-5-propan-2-yloxolane?
The InChIKey is FGFMPRYQCUXPOK-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H16Cl2O/c1-6(2)8-4-3-7(12-8)5-9(10)11/h6-9H,3-5H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (2R,5R)-2-(2,2-dichloroethyl)-5-propan-2-yloxolane?
(2R,5R)-2-(2,2-dichloroethyl)-5-propan-2-yloxolane has a molecular weight of 211.13 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-(2,2-dichloroethyl)-5-propan-2-yloxolane is sourced from PubChem (CID 642405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).