2,8-dimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane

C8H14O2S2 — CID 22186288

IUPAC2,8-dimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane
SMILESCC1CSC2(CO1)OC(C)CS2
InChIInChI=1S/C8H14O2S2/c1-6-3-11-8(5-9-6)10-7(2)4-12-8/h6-7H,3-5H2,1-2H3
InChIKeySRBRUYRMSSQNEE-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.94
Rot. Bonds

About 2,8-dimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane

2,8-dimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane (PubChem CID 22186288) has the molecular formula C8H14O2S2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2,8-dimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane.

Molecular Properties

Compound Name2,8-dimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane
PubChem CID22186288
Molecular FormulaC8H14O2S2
Molecular Weight206.33 g/mol
Exact Mass206.04
IUPAC Name2,8-dimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane
SMILESCC1CSC2(CO1)OC(C)CS2
InChIInChI=1S/C8H14O2S2/c1-6-3-11-8(5-9-6)10-7(2)4-12-8/h6-7H,3-5H2,1-2H3
InChIKeySRBRUYRMSSQNEE-UHFFFAOYSA-N
XLogP1.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-Dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolane
CID 11053597
(4S)-4-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolane
CID 134895134
4-(1,3-Dithian-2-yl)-2,2-dimethyl-1,3-dioxolane
CID 24812664
12-Methyl-1,11-dioxa-5,7-dithiaspiro[5.6]dodecane
CID 17854823
3,4-Diethoxythiolane
CID 19899986
2,8,10-Trimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane
CID 22186245
2-(1,3-Oxathiolan-2-yl)-1,3-oxathiane
CID 54406939
3-(2-Methoxyethoxy)thiolane
CID 57268409
S-[2-(2-propan-2-yloxyethoxy)ethyl] 2-(thiolan-1-ium-1-yl)ethanethioate
CID 58780054
2-(Methoxymethyl)-5-methyl-1,3-oxathiolane
CID 59615228
2-(4,5-Dimethyl-1,3-oxathiolan-2-yl)-1,3-oxathiane
CID 67218267
5-(Methoxymethyl)-2-methyl-1,3-oxathiolane
CID 70231585

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane?
The IUPAC name of 2,8-dimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane (CID 22186288) is 2,8-dimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane.
What is the SMILES notation for 2,8-dimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane?
The canonical SMILES for 2,8-dimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane is CC1CSC2(CO1)OC(C)CS2.
What is the InChIKey of 2,8-dimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane?
The InChIKey is SRBRUYRMSSQNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S2/c1-6-3-11-8(5-9-6)10-7(2)4-12-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 2,8-dimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane?
2,8-dimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane has a molecular weight of 206.33 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane is sourced from PubChem (CID 22186288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).