2-(chloromethyl)-1-oxa-4-thiaspiro[4.4]nonane

C8H13ClOS — CID 12859442

IUPAC2-(chloromethyl)-1-oxa-4-thiaspiro[4.4]nonane
SMILESClCC1CSC2(CCCC2)O1
InChIInChI=1S/C8H13ClOS/c9-5-7-6-11-8(10-7)3-1-2-4-8/h7H,1-6H2
InChIKeyYPPSWNYRWOAYHP-UHFFFAOYSA-N
MW192.71 g/mol
LogP2.63
Rot. Bonds1

About 2-(chloromethyl)-1-oxa-4-thiaspiro[4.4]nonane

2-(chloromethyl)-1-oxa-4-thiaspiro[4.4]nonane (PubChem CID 12859442) has the molecular formula C8H13ClOS and a molecular weight of 192.71 g/mol. Its IUPAC name is 2-(chloromethyl)-1-oxa-4-thiaspiro[4.4]nonane.

Molecular Properties

Compound Name2-(chloromethyl)-1-oxa-4-thiaspiro[4.4]nonane
PubChem CID12859442
Molecular FormulaC8H13ClOS
Molecular Weight192.71 g/mol
Exact Mass192.04
IUPAC Name2-(chloromethyl)-1-oxa-4-thiaspiro[4.4]nonane
SMILESClCC1CSC2(CCCC2)O1
InChIInChI=1S/C8H13ClOS/c9-5-7-6-11-8(10-7)3-1-2-4-8/h7H,1-6H2
InChIKeyYPPSWNYRWOAYHP-UHFFFAOYSA-N
XLogP2.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.71
LogP ≤ 52.63
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-(Chloromethyl)-1-oxa-4-thiaspiro[4.5]decane
CID 317121
9-Chloro-2-(chloromethyl)-1-oxa-4-thiaspiro[4.4]nonane
CID 13618520
(2R)-2-(chloromethyl)-1-oxa-4-thiaspiro[4.5]decane
CID 92168032
(2S)-2-(chloromethyl)-1-oxa-4-thiaspiro[4.5]decane
CID 92170634
2-(2-Chloroethylsulfanylmethyl)-5-methyloxolane
CID 103144052
2-(3-Chloropropylsulfanylmethyl)-5-methyloxolane
CID 103144053
2-(1-Chloropropan-2-ylsulfanylmethyl)-5-methyloxolane
CID 103144062
2-(2-Chloroethylsulfanylmethyl)oxolane
CID 104084099
2-[2-(2-Chloroethylsulfanyl)ethyl]oxolane
CID 104084202
2-(3-Chloropropylsulfanylmethyl)oxolane
CID 104084255
2-[2-(3-Chloropropylsulfanyl)ethyl]oxolane
CID 104084377
2-(4-Chlorobutan-2-ylsulfanylmethyl)oxolane
CID 104084794

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-oxa-4-thiaspiro[4.4]nonane?
The IUPAC name of 2-(chloromethyl)-1-oxa-4-thiaspiro[4.4]nonane (CID 12859442) is 2-(chloromethyl)-1-oxa-4-thiaspiro[4.4]nonane.
What is the SMILES notation for 2-(chloromethyl)-1-oxa-4-thiaspiro[4.4]nonane?
The canonical SMILES for 2-(chloromethyl)-1-oxa-4-thiaspiro[4.4]nonane is ClCC1CSC2(CCCC2)O1.
What is the InChIKey of 2-(chloromethyl)-1-oxa-4-thiaspiro[4.4]nonane?
The InChIKey is YPPSWNYRWOAYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClOS/c9-5-7-6-11-8(10-7)3-1-2-4-8/h7H,1-6H2.
What are the key properties of 2-(chloromethyl)-1-oxa-4-thiaspiro[4.4]nonane?
2-(chloromethyl)-1-oxa-4-thiaspiro[4.4]nonane has a molecular weight of 192.71 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-oxa-4-thiaspiro[4.4]nonane is sourced from PubChem (CID 12859442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).