2-(chloromethyl)-3-propan-2-yloxolane

C8H15ClO — CID 134934524

IUPAC2-(chloromethyl)-3-propan-2-yloxolane
SMILESCC(C)C1CCOC1CCl
InChIInChI=1S/C8H15ClO/c1-6(2)7-3-4-10-8(7)5-9/h6-8H,3-5H2,1-2H3
InChIKeyFDAWELMKZUMSFD-UHFFFAOYSA-N
MW162.66 g/mol
LogP2.29
Rot. Bonds2

About 2-(chloromethyl)-3-propan-2-yloxolane

2-(chloromethyl)-3-propan-2-yloxolane (PubChem CID 134934524) has the molecular formula C8H15ClO and a molecular weight of 162.66 g/mol. Its IUPAC name is 2-(chloromethyl)-3-propan-2-yloxolane.

Molecular Properties

Compound Name2-(chloromethyl)-3-propan-2-yloxolane
PubChem CID134934524
Molecular FormulaC8H15ClO
Molecular Weight162.66 g/mol
Exact Mass162.08
IUPAC Name2-(chloromethyl)-3-propan-2-yloxolane
SMILESCC(C)C1CCOC1CCl
InChIInChI=1S/C8H15ClO/c1-6(2)7-3-4-10-8(7)5-9/h6-8H,3-5H2,1-2H3
InChIKeyFDAWELMKZUMSFD-UHFFFAOYSA-N
XLogP2.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 52.29
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

(3R,4R,5R)-2-chloro-5-ethyl-3-fluoro-3,4-dimethyloxolane
CID 59227124
(2S,4S,5R)-2-chloro-5-ethyl-3-fluoro-3,4-dimethyloxolane
CID 122450195
(2S,4S,5R)-2-chloro-5-ethyl-3-fluoro-3-(fluoromethyl)-4-methyloxolane
CID 122450196
2-(Chloromethyl)-3-methyloxolane
CID 81577392
5-(Chloromethyl)-2,2,3,3-tetramethyloxolane
CID 162413818
3-(Dichloromethyl)-2,2-dimethyloxolane
CID 13899838
3-(2,2-Dichloroethyl)-4-methyloxolane
CID 85279829
2,2,3-Trimethyl-5-(trichloromethyl)oxolane
CID 86146962
(2R,5S)-2-(chloromethyl)-2,5-dimethyloxolane
CID 101684317
(2R,5R)-2-(chloromethyl)-2,5-dimethyloxolane
CID 101684318
3-Chloro-2-propan-2-yloxolane
CID 13494565
5-Chloro-2-ethyl-3-methyloxolane
CID 18731526

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-propan-2-yloxolane?
The IUPAC name of 2-(chloromethyl)-3-propan-2-yloxolane (CID 134934524) is 2-(chloromethyl)-3-propan-2-yloxolane.
What is the SMILES notation for 2-(chloromethyl)-3-propan-2-yloxolane?
The canonical SMILES for 2-(chloromethyl)-3-propan-2-yloxolane is CC(C)C1CCOC1CCl.
What is the InChIKey of 2-(chloromethyl)-3-propan-2-yloxolane?
The InChIKey is FDAWELMKZUMSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO/c1-6(2)7-3-4-10-8(7)5-9/h6-8H,3-5H2,1-2H3.
What are the key properties of 2-(chloromethyl)-3-propan-2-yloxolane?
2-(chloromethyl)-3-propan-2-yloxolane has a molecular weight of 162.66 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-propan-2-yloxolane is sourced from PubChem (CID 134934524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).