2-chloro-3-(2,2-dimethylpropyl)-4-methyloxolane

C10H19ClO — CID 23124496

IUPAC2-chloro-3-(2,2-dimethylpropyl)-4-methyloxolane
SMILESCC1COC(Cl)C1CC(C)(C)C
InChIInChI=1S/C10H19ClO/c1-7-6-12-9(11)8(7)5-10(2,3)4/h7-9H,5-6H2,1-4H3
InChIKeyRSPNWOBGPDHTIO-UHFFFAOYSA-N
MW190.71 g/mol
LogP3.27
Rot. Bonds1

About 2-chloro-3-(2,2-dimethylpropyl)-4-methyloxolane

2-chloro-3-(2,2-dimethylpropyl)-4-methyloxolane (PubChem CID 23124496) has the molecular formula C10H19ClO and a molecular weight of 190.71 g/mol. Its IUPAC name is 2-chloro-3-(2,2-dimethylpropyl)-4-methyloxolane.

Molecular Properties

Compound Name2-chloro-3-(2,2-dimethylpropyl)-4-methyloxolane
PubChem CID23124496
Molecular FormulaC10H19ClO
Molecular Weight190.71 g/mol
Exact Mass190.11
IUPAC Name2-chloro-3-(2,2-dimethylpropyl)-4-methyloxolane
SMILESCC1COC(Cl)C1CC(C)(C)C
InChIInChI=1S/C10H19ClO/c1-7-6-12-9(11)8(7)5-10(2,3)4/h7-9H,5-6H2,1-4H3
InChIKeyRSPNWOBGPDHTIO-UHFFFAOYSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.71
LogP ≤ 53.27
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

3-(2-Chloropropyl)oxolane
CID 137698638
4-t-Butyl-2-(2,2-dichloro-ethyl)-tetrahydro-furan
CID 15748896
4-(Chloromethyl)-5,5-dimethyl-1-(2,2,2-trifluoroethoxy)hexane
CID 83142039
4-(Chloromethyl)-4,5-dimethyl-1-(2,2,2-trifluoroethoxy)hexane
CID 83152220
2-Chloro-4-ethyl-3-(2-methylbutan-2-yl)oxolane
CID 23124322
3-Tert-butyl-2-chloro-5-methyloxane
CID 23124324
2-Chloro-5-methyl-3-propan-2-yloxane
CID 23124326
2-Chloro-3-(2-methylbutan-2-yl)oxolane
CID 23124327
2-Chloro-4-methyl-3-propyloxolane
CID 23124335
3-Tert-butyl-2-chloro-4-ethyloxolane
CID 23124340
2-Chloro-4-ethyl-3-propyloxolane
CID 23124345
2-Chloro-3,4-diethyloxolane
CID 23124346

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2,2-dimethylpropyl)-4-methyloxolane?
The IUPAC name of 2-chloro-3-(2,2-dimethylpropyl)-4-methyloxolane (CID 23124496) is 2-chloro-3-(2,2-dimethylpropyl)-4-methyloxolane.
What is the SMILES notation for 2-chloro-3-(2,2-dimethylpropyl)-4-methyloxolane?
The canonical SMILES for 2-chloro-3-(2,2-dimethylpropyl)-4-methyloxolane is CC1COC(Cl)C1CC(C)(C)C.
What is the InChIKey of 2-chloro-3-(2,2-dimethylpropyl)-4-methyloxolane?
The InChIKey is RSPNWOBGPDHTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO/c1-7-6-12-9(11)8(7)5-10(2,3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 2-chloro-3-(2,2-dimethylpropyl)-4-methyloxolane?
2-chloro-3-(2,2-dimethylpropyl)-4-methyloxolane has a molecular weight of 190.71 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2,2-dimethylpropyl)-4-methyloxolane is sourced from PubChem (CID 23124496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).