2-(3-chloropropyl)-2-ethyl-1,3-oxathiolane

C8H15ClOS — CID 100998761

IUPAC2-(3-chloropropyl)-2-ethyl-1,3-oxathiolane
SMILESCCC1(CCCCl)OCCS1
InChIInChI=1S/C8H15ClOS/c1-2-8(4-3-5-9)10-6-7-11-8/h2-7H2,1H3
InChIKeyBMTSNBRODFOCII-UHFFFAOYSA-N
MW194.73 g/mol
LogP2.88
Rot. Bonds4

About 2-(3-chloropropyl)-2-ethyl-1,3-oxathiolane

2-(3-chloropropyl)-2-ethyl-1,3-oxathiolane (PubChem CID 100998761) has the molecular formula C8H15ClOS and a molecular weight of 194.73 g/mol. Its IUPAC name is 2-(3-chloropropyl)-2-ethyl-1,3-oxathiolane.

Molecular Properties

Compound Name2-(3-chloropropyl)-2-ethyl-1,3-oxathiolane
PubChem CID100998761
Molecular FormulaC8H15ClOS
Molecular Weight194.73 g/mol
Exact Mass194.05
IUPAC Name2-(3-chloropropyl)-2-ethyl-1,3-oxathiolane
SMILESCCC1(CCCCl)OCCS1
InChIInChI=1S/C8H15ClOS/c1-2-8(4-3-5-9)10-6-7-11-8/h2-7H2,1H3
InChIKeyBMTSNBRODFOCII-UHFFFAOYSA-N
XLogP2.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.73
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-Chloropentyl)-1,3-oxathiolane
CID 21762781
1-(Chloromethyl)-1-(2-hexylthioethoxy)pentane
CID 3576590
3-Chloro-2-ethoxythiolane
CID 12295755
3-Chloro-2-propoxythiolane
CID 14869215
2-(3-Chloropropyl)-1,3-oxathiolane
CID 15627560
(2S)-1-chloro-2-(2-hexylsulfanylethoxy)hexane
CID 40535155
(2R)-1-chloro-2-(2-hexylsulfanylethoxy)hexane
CID 40535158
1-Chloro-6-(2-methoxyethylsulfanyl)hexane
CID 62228574
1-Chloro-6-(3-methoxypropylsulfanyl)hexane
CID 63856988
2-Chloro-3-(chloromethylsulfanyl)-2-methyloxolane
CID 71320325
2-(2-Chloroethylsulfanylmethyl)-5-methyloxolane
CID 103144052
2-(3-Chloropropylsulfanylmethyl)-5-methyloxolane
CID 103144053

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-2-ethyl-1,3-oxathiolane?
The IUPAC name of 2-(3-chloropropyl)-2-ethyl-1,3-oxathiolane (CID 100998761) is 2-(3-chloropropyl)-2-ethyl-1,3-oxathiolane.
What is the SMILES notation for 2-(3-chloropropyl)-2-ethyl-1,3-oxathiolane?
The canonical SMILES for 2-(3-chloropropyl)-2-ethyl-1,3-oxathiolane is CCC1(CCCCl)OCCS1.
What is the InChIKey of 2-(3-chloropropyl)-2-ethyl-1,3-oxathiolane?
The InChIKey is BMTSNBRODFOCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClOS/c1-2-8(4-3-5-9)10-6-7-11-8/h2-7H2,1H3.
What are the key properties of 2-(3-chloropropyl)-2-ethyl-1,3-oxathiolane?
2-(3-chloropropyl)-2-ethyl-1,3-oxathiolane has a molecular weight of 194.73 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-2-ethyl-1,3-oxathiolane is sourced from PubChem (CID 100998761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).