6-(methoxymethyl)-1,4-dioxa-7-thiaspiro[4.4]nonane

C8H14O3S — CID 21276496

IUPAC6-(methoxymethyl)-1,4-dioxa-7-thiaspiro[4.4]nonane
SMILESCOCC1SCCC12OCCO2
InChIInChI=1S/C8H14O3S/c1-9-6-7-8(2-5-12-7)10-3-4-11-8/h7H,2-6H2,1H3
InChIKeyWIJWKVLCDSYBBE-UHFFFAOYSA-N
MW190.26 g/mol
LogP0.88
Rot. Bonds2

About 6-(methoxymethyl)-1,4-dioxa-7-thiaspiro[4.4]nonane

6-(methoxymethyl)-1,4-dioxa-7-thiaspiro[4.4]nonane (PubChem CID 21276496) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is 6-(methoxymethyl)-1,4-dioxa-7-thiaspiro[4.4]nonane.

Molecular Properties

Compound Name6-(methoxymethyl)-1,4-dioxa-7-thiaspiro[4.4]nonane
PubChem CID21276496
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name6-(methoxymethyl)-1,4-dioxa-7-thiaspiro[4.4]nonane
SMILESCOCC1SCCC12OCCO2
InChIInChI=1S/C8H14O3S/c1-9-6-7-8(2-5-12-7)10-3-4-11-8/h7H,2-6H2,1H3
InChIKeyWIJWKVLCDSYBBE-UHFFFAOYSA-N
XLogP0.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-1,4-dioxa-7-thiaspiro[4.4]nonane?
The IUPAC name of 6-(methoxymethyl)-1,4-dioxa-7-thiaspiro[4.4]nonane (CID 21276496) is 6-(methoxymethyl)-1,4-dioxa-7-thiaspiro[4.4]nonane.
What is the SMILES notation for 6-(methoxymethyl)-1,4-dioxa-7-thiaspiro[4.4]nonane?
The canonical SMILES for 6-(methoxymethyl)-1,4-dioxa-7-thiaspiro[4.4]nonane is COCC1SCCC12OCCO2.
What is the InChIKey of 6-(methoxymethyl)-1,4-dioxa-7-thiaspiro[4.4]nonane?
The InChIKey is WIJWKVLCDSYBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3S/c1-9-6-7-8(2-5-12-7)10-3-4-11-8/h7H,2-6H2,1H3.
What are the key properties of 6-(methoxymethyl)-1,4-dioxa-7-thiaspiro[4.4]nonane?
6-(methoxymethyl)-1,4-dioxa-7-thiaspiro[4.4]nonane has a molecular weight of 190.26 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-1,4-dioxa-7-thiaspiro[4.4]nonane is sourced from PubChem (CID 21276496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).