8,8-dimethyl-1-oxa-4-thiaspiro[4.5]decane

C10H18OS — CID 150171275

IUPAC8,8-dimethyl-1-oxa-4-thiaspiro[4.5]decane
SMILESCC1(C)CCC2(CC1)OCCS2
InChIInChI=1S/C10H18OS/c1-9(2)3-5-10(6-4-9)11-7-8-12-10/h3-8H2,1-2H3
InChIKeyFJMGCZAWBBVCMC-UHFFFAOYSA-N
MW186.32 g/mol
LogP3.05
Rot. Bonds

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

8,8-dimethyl-1-oxa-4-thiaspiro[4.5]decane (PubChem CID 150171275) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 8,8-dimethyl-1-oxa-4-thiaspiro[4.5]decane.

Molecular Properties

Compound Name8,8-dimethyl-1-oxa-4-thiaspiro[4.5]decane
PubChem CID150171275
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name8,8-dimethyl-1-oxa-4-thiaspiro[4.5]decane
SMILESCC1(C)CCC2(CC1)OCCS2
InChIInChI=1S/C10H18OS/c1-9(2)3-5-10(6-4-9)11-7-8-12-10/h3-8H2,1-2H3
InChIKeyFJMGCZAWBBVCMC-UHFFFAOYSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Spiro(cyclohexane-1,2'-(1,3-oxathiolane)), 3,3,5-trimethyl-
CID 212707
(2R)-2-ethyl-5-ethylsulfanyl-3,3-dimethyloxolane
CID 89397464
2-(4-Methylcyclohexyl)oxythiolane
CID 9990393
8-Propan-2-yl-1-oxa-4-thiaspiro[4.5]decane
CID 11171650
8-Tert-butyl-1-oxa-4-thiaspiro[4.5]decane
CID 12670328
8-Methyl-1-oxa-4-thiaspiro[4.5]decane
CID 12954650
3,3,9-Trimethyl-1-oxa-5-thiaspiro[5.5]undecane
CID 101121965
[1-(Oxolan-2-ylmethylsulfanylmethyl)cyclohexyl]methanethiol
CID 106497634
[1-[(2-Methyloxolan-3-yl)sulfanylmethyl]cyclohexyl]methanethiol
CID 107766426

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-1-oxa-4-thiaspiro[4.5]decane?
The IUPAC name of 8,8-dimethyl-1-oxa-4-thiaspiro[4.5]decane (CID 150171275) is 8,8-dimethyl-1-oxa-4-thiaspiro[4.5]decane.
What is the SMILES notation for 8,8-dimethyl-1-oxa-4-thiaspiro[4.5]decane?
The canonical SMILES for 8,8-dimethyl-1-oxa-4-thiaspiro[4.5]decane is CC1(C)CCC2(CC1)OCCS2.
What is the InChIKey of 8,8-dimethyl-1-oxa-4-thiaspiro[4.5]decane?
The InChIKey is FJMGCZAWBBVCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-9(2)3-5-10(6-4-9)11-7-8-12-10/h3-8H2,1-2H3.
What are the key properties of 8,8-dimethyl-1-oxa-4-thiaspiro[4.5]decane?
8,8-dimethyl-1-oxa-4-thiaspiro[4.5]decane has a molecular weight of 186.32 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-1-oxa-4-thiaspiro[4.5]decane is sourced from PubChem (CID 150171275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).