3,3-dimethyl-1,4-dioxa-8-thiaspiro[4.5]decane

C9H16O2S — CID 143482244

IUPAC3,3-dimethyl-1,4-dioxa-8-thiaspiro[4.5]decane
SMILESCC1(C)COC2(CCSCC2)O1
InChIInChI=1S/C9H16O2S/c1-8(2)7-10-9(11-8)3-5-12-6-4-9/h3-7H2,1-2H3
InChIKeyZUKQCEGQHMPNRU-UHFFFAOYSA-N
MW188.29 g/mol
LogP2.04
Rot. Bonds

About 3,3-dimethyl-1,4-dioxa-8-thiaspiro[4.5]decane

3,3-dimethyl-1,4-dioxa-8-thiaspiro[4.5]decane (PubChem CID 143482244) has the molecular formula C9H16O2S and a molecular weight of 188.29 g/mol. Its IUPAC name is 3,3-dimethyl-1,4-dioxa-8-thiaspiro[4.5]decane.

Molecular Properties

Compound Name3,3-dimethyl-1,4-dioxa-8-thiaspiro[4.5]decane
PubChem CID143482244
Molecular FormulaC9H16O2S
Molecular Weight188.29 g/mol
Exact Mass188.09
IUPAC Name3,3-dimethyl-1,4-dioxa-8-thiaspiro[4.5]decane
SMILESCC1(C)COC2(CCSCC2)O1
InChIInChI=1S/C9H16O2S/c1-8(2)7-10-9(11-8)3-5-12-6-4-9/h3-7H2,1-2H3
InChIKeyZUKQCEGQHMPNRU-UHFFFAOYSA-N
XLogP2.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dioxa-8-thiaspiro(4.5)decane
CID 12335978
1,3-Dioxolane, 2-(2-(ethylthio)-1-methylethyl)-2-methyl-
CID 56940
1,3-Dioxolane, 2-methyl-2-(1-methyl-2-(propylthio)ethyl)-
CID 56941
1,3-Dioxolane, 2-(2-(butylthio)-1-methylethyl)-2-methyl-
CID 59228
1,3-Dioxolane, 2-methyl-2-(1-methyl-2-((3-methylbutyl)thio)ethyl)-
CID 59229
1,3-Dioxolane, 2-methyl-2-(1-methyl-2-(pentylthio)ethyl)-
CID 59230
(4S)-2,2,4-trimethyl-4-(2-propan-2-ylsulfanylethyl)-1,3-dioxolane
CID 14849539
1,4-Dioxa-7-thiaspiro[4.5]decane
CID 642978
2,2,3,3-Tetramethyl-6-methylsulfanyl-1,4,10-trioxaspiro[4.5]decane
CID 85609157
4-Methyl-5-athyl-6.8-dioxa-3-thia-bicyclo-[3.2.1]-octan
CID 129628576
(4S)-4-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolane
CID 134895134
(6S)-6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane
CID 135016905

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1,4-dioxa-8-thiaspiro[4.5]decane?
The IUPAC name of 3,3-dimethyl-1,4-dioxa-8-thiaspiro[4.5]decane (CID 143482244) is 3,3-dimethyl-1,4-dioxa-8-thiaspiro[4.5]decane.
What is the SMILES notation for 3,3-dimethyl-1,4-dioxa-8-thiaspiro[4.5]decane?
The canonical SMILES for 3,3-dimethyl-1,4-dioxa-8-thiaspiro[4.5]decane is CC1(C)COC2(CCSCC2)O1.
What is the InChIKey of 3,3-dimethyl-1,4-dioxa-8-thiaspiro[4.5]decane?
The InChIKey is ZUKQCEGQHMPNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2S/c1-8(2)7-10-9(11-8)3-5-12-6-4-9/h3-7H2,1-2H3.
What are the key properties of 3,3-dimethyl-1,4-dioxa-8-thiaspiro[4.5]decane?
3,3-dimethyl-1,4-dioxa-8-thiaspiro[4.5]decane has a molecular weight of 188.29 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1,4-dioxa-8-thiaspiro[4.5]decane is sourced from PubChem (CID 143482244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).