3,8-bis(ethylsulfanylmethyl)-1,4,6,9-tetraoxaspiro[4.4]nonane

C11H20O4S2 — CID 71339115

IUPAC3,8-bis(ethylsulfanylmethyl)-1,4,6,9-tetraoxaspiro[4.4]nonane
SMILESCCSCC1COC2(OCC(CSCC)O2)O1
InChIInChI=1S/C11H20O4S2/c1-3-16-7-9-5-12-11(14-9)13-6-10(15-11)8-17-4-2/h9-10H,3-8H2,1-2H3
InChIKeyXLMJZLRGHNHBTF-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.93
Rot. Bonds6

About 3,8-bis(ethylsulfanylmethyl)-1,4,6,9-tetraoxaspiro[4.4]nonane

3,8-bis(ethylsulfanylmethyl)-1,4,6,9-tetraoxaspiro[4.4]nonane (PubChem CID 71339115) has the molecular formula C11H20O4S2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3,8-bis(ethylsulfanylmethyl)-1,4,6,9-tetraoxaspiro[4.4]nonane.

Molecular Properties

Compound Name3,8-bis(ethylsulfanylmethyl)-1,4,6,9-tetraoxaspiro[4.4]nonane
PubChem CID71339115
Molecular FormulaC11H20O4S2
Molecular Weight280.41 g/mol
Exact Mass280.08
IUPAC Name3,8-bis(ethylsulfanylmethyl)-1,4,6,9-tetraoxaspiro[4.4]nonane
SMILESCCSCC1COC2(OCC(CSCC)O2)O1
InChIInChI=1S/C11H20O4S2/c1-3-16-7-9-5-12-11(14-9)13-6-10(15-11)8-17-4-2/h9-10H,3-8H2,1-2H3
InChIKeyXLMJZLRGHNHBTF-UHFFFAOYSA-N
XLogP1.93
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[Bis(ethylsulfanyl)methyl]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane
CID 268838
(4R,5R)-4-[bis(ethylsulfanyl)methyl]-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane
CID 11267692
(4S,5R)-4-[bis(ethylsulfanyl)methyl]-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane
CID 11782662
1,6-Bis(1,3-dioxolan-2-one)-2,5-dithiahexane
CID 139055033
(4S)-4-[2,2-bis(ethylsulfanyl)ethyl]-2,2-dimethyl-1,3-dioxolane
CID 10753213
(4S,5S)-4-[bis(ethylsulfanyl)methyl]-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane
CID 11035088
(4R,5S)-4-[bis(ethylsulfanyl)methyl]-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane
CID 11823918
(4R)-4-[2,2-bis(ethylsulfanyl)ethyl]-2,2-dimethyl-1,3-dioxolane
CID 100962609
1-Ethylsulfanyl-3-[(3-ethylsulfanyl-2-methoxypropoxy)methoxy]-2-methoxypropane
CID 57165440
4,5-Bis(ethylsulfinylmethyl)-1,3-dioxolane
CID 71149111
4-[2-[6-[2-(2-Oxo-1,3-dioxolan-4-yl)ethylsulfanyl]hexylsulfanyl]ethyl]-1,3-dioxolan-2-one
CID 90265126
(4S,5R)-2,2,4-trimethyl-5-(methylsulfanylmethyl)-1,3-dioxolane
CID 117681101

Frequently Asked Questions

What is the IUPAC name of 3,8-bis(ethylsulfanylmethyl)-1,4,6,9-tetraoxaspiro[4.4]nonane?
The IUPAC name of 3,8-bis(ethylsulfanylmethyl)-1,4,6,9-tetraoxaspiro[4.4]nonane (CID 71339115) is 3,8-bis(ethylsulfanylmethyl)-1,4,6,9-tetraoxaspiro[4.4]nonane.
What is the SMILES notation for 3,8-bis(ethylsulfanylmethyl)-1,4,6,9-tetraoxaspiro[4.4]nonane?
The canonical SMILES for 3,8-bis(ethylsulfanylmethyl)-1,4,6,9-tetraoxaspiro[4.4]nonane is CCSCC1COC2(OCC(CSCC)O2)O1.
What is the InChIKey of 3,8-bis(ethylsulfanylmethyl)-1,4,6,9-tetraoxaspiro[4.4]nonane?
The InChIKey is XLMJZLRGHNHBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4S2/c1-3-16-7-9-5-12-11(14-9)13-6-10(15-11)8-17-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 3,8-bis(ethylsulfanylmethyl)-1,4,6,9-tetraoxaspiro[4.4]nonane?
3,8-bis(ethylsulfanylmethyl)-1,4,6,9-tetraoxaspiro[4.4]nonane has a molecular weight of 280.41 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-bis(ethylsulfanylmethyl)-1,4,6,9-tetraoxaspiro[4.4]nonane is sourced from PubChem (CID 71339115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).