5-(3-chloropropylsulfanylmethyl)-2,2-dimethyloxolane

C10H19ClOS — CID 116525754

IUPAC5-(3-chloropropylsulfanylmethyl)-2,2-dimethyloxolane
SMILESCC1(C)CCC(CSCCCCl)O1
InChIInChI=1S/C10H19ClOS/c1-10(2)5-4-9(12-10)8-13-7-3-6-11/h9H,3-8H2,1-2H3
InChIKeyJUFCEKMNIQCSBU-UHFFFAOYSA-N
MW222.78 g/mol
LogP3.31
Rot. Bonds5

About 5-(3-chloropropylsulfanylmethyl)-2,2-dimethyloxolane

5-(3-chloropropylsulfanylmethyl)-2,2-dimethyloxolane (PubChem CID 116525754) has the molecular formula C10H19ClOS and a molecular weight of 222.78 g/mol. Its IUPAC name is 5-(3-chloropropylsulfanylmethyl)-2,2-dimethyloxolane.

Molecular Properties

Compound Name5-(3-chloropropylsulfanylmethyl)-2,2-dimethyloxolane
PubChem CID116525754
Molecular FormulaC10H19ClOS
Molecular Weight222.78 g/mol
Exact Mass222.08
IUPAC Name5-(3-chloropropylsulfanylmethyl)-2,2-dimethyloxolane
SMILESCC1(C)CCC(CSCCCCl)O1
InChIInChI=1S/C10H19ClOS/c1-10(2)5-4-9(12-10)8-13-7-3-6-11/h9H,3-8H2,1-2H3
InChIKeyJUFCEKMNIQCSBU-UHFFFAOYSA-N
XLogP3.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.78
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(1-chloropropan-2-ylsulfanylmethyl)-2,2-dimethyloxolane
CID 116525762
(5,5-dimethyloxolan-2-yl)methyl thiocyanate
CID 155418417
3-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]-2-methylpropanoic acid
CID 116520691
5-(3-chloro-2-methylpropyl)-2,2-dimethyloxolane
CID 116525177
5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2,2-dimethyloxolane
CID 116525310
methyl 2-[1-[(5,5-dimethyloxolan-2-yl)methylsulfanylmethyl]cyclopropyl]acetate
CID 107776136
3-(5,5-dimethyloxolan-2-yl)propan-1-ol
CID 116523847
4-(2-chloroethoxy)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine
CID 116524057
4-(5,5-dimethyloxolan-2-yl)butan-1-ol
CID 116524331
2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]phenol
CID 116523197
N-(2-chloroethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]pentan-3-amine
CID 116523973
1-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]pentan-3-amine
CID 116524076

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloropropylsulfanylmethyl)-2,2-dimethyloxolane?
The IUPAC name of 5-(3-chloropropylsulfanylmethyl)-2,2-dimethyloxolane (CID 116525754) is 5-(3-chloropropylsulfanylmethyl)-2,2-dimethyloxolane.
What is the SMILES notation for 5-(3-chloropropylsulfanylmethyl)-2,2-dimethyloxolane?
The canonical SMILES for 5-(3-chloropropylsulfanylmethyl)-2,2-dimethyloxolane is CC1(C)CCC(CSCCCCl)O1.
What is the InChIKey of 5-(3-chloropropylsulfanylmethyl)-2,2-dimethyloxolane?
The InChIKey is JUFCEKMNIQCSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClOS/c1-10(2)5-4-9(12-10)8-13-7-3-6-11/h9H,3-8H2,1-2H3.
What are the key properties of 5-(3-chloropropylsulfanylmethyl)-2,2-dimethyloxolane?
5-(3-chloropropylsulfanylmethyl)-2,2-dimethyloxolane has a molecular weight of 222.78 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloropropylsulfanylmethyl)-2,2-dimethyloxolane is sourced from PubChem (CID 116525754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).