2-chloro-3,4-diethyloxolane

C8H15ClO — CID 23124346

IUPAC2-chloro-3,4-diethyloxolane
SMILESCCC1COC(Cl)C1CC
InChIInChI=1S/C8H15ClO/c1-3-6-5-10-8(9)7(6)4-2/h6-8H,3-5H2,1-2H3
InChIKeyMPNPRWFAKFAWLA-UHFFFAOYSA-N
MW162.66 g/mol
LogP2.63
Rot. Bonds2

About 2-chloro-3,4-diethyloxolane

2-chloro-3,4-diethyloxolane (PubChem CID 23124346) has the molecular formula C8H15ClO and a molecular weight of 162.66 g/mol. Its IUPAC name is 2-chloro-3,4-diethyloxolane.

Molecular Properties

Compound Name2-chloro-3,4-diethyloxolane
PubChem CID23124346
Molecular FormulaC8H15ClO
Molecular Weight162.66 g/mol
Exact Mass162.08
IUPAC Name2-chloro-3,4-diethyloxolane
SMILESCCC1COC(Cl)C1CC
InChIInChI=1S/C8H15ClO/c1-3-6-5-10-8(9)7(6)4-2/h6-8H,3-5H2,1-2H3
InChIKeyMPNPRWFAKFAWLA-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
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-Chloroethyl)oxolane
CID 21411184
3-(2-Chloropropyl)oxolane
CID 137698638
(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-propan-2-yloxolane
CID 134934524
3-(Dichloromethyl)-2,2-dimethyloxolane
CID 13899838
3-(2,2-Dichloroethyl)-4-methyloxolane
CID 85279829
4-(5-Chloropentoxymethyl)-2-methylhexane
CID 13748137
5-Chloro-2-ethyl-3-methyloxolane
CID 18731526
3-(1-Chloroethyl)oxolane
CID 21698374
2-Chloro-4-ethyl-3-nonyloxolane
CID 23124321

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,4-diethyloxolane?
The IUPAC name of 2-chloro-3,4-diethyloxolane (CID 23124346) is 2-chloro-3,4-diethyloxolane.
What is the SMILES notation for 2-chloro-3,4-diethyloxolane?
The canonical SMILES for 2-chloro-3,4-diethyloxolane is CCC1COC(Cl)C1CC.
What is the InChIKey of 2-chloro-3,4-diethyloxolane?
The InChIKey is MPNPRWFAKFAWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO/c1-3-6-5-10-8(9)7(6)4-2/h6-8H,3-5H2,1-2H3.
What are the key properties of 2-chloro-3,4-diethyloxolane?
2-chloro-3,4-diethyloxolane has a molecular weight of 162.66 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,4-diethyloxolane is sourced from PubChem (CID 23124346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).