8-tert-butyl-1-oxa-4-thiaspiro[4.5]decane

C12H22OS — CID 12670328

IUPAC8-tert-butyl-1-oxa-4-thiaspiro[4.5]decane
SMILESCC(C)(C)C1CCC2(CC1)OCCS2
InChIInChI=1S/C12H22OS/c1-11(2,3)10-4-6-12(7-5-10)13-8-9-14-12/h10H,4-9H2,1-3H3
InChIKeyDEUIJKZRHPPMPL-UHFFFAOYSA-N
MW214.37 g/mol
LogP3.68
Rot. Bonds

About 8-tert-butyl-1-oxa-4-thiaspiro[4.5]decane

8-tert-butyl-1-oxa-4-thiaspiro[4.5]decane (PubChem CID 12670328) has the molecular formula C12H22OS and a molecular weight of 214.37 g/mol. Its IUPAC name is 8-tert-butyl-1-oxa-4-thiaspiro[4.5]decane.

Molecular Properties

Compound Name8-tert-butyl-1-oxa-4-thiaspiro[4.5]decane
PubChem CID12670328
Molecular FormulaC12H22OS
Molecular Weight214.37 g/mol
Exact Mass214.14
IUPAC Name8-tert-butyl-1-oxa-4-thiaspiro[4.5]decane
SMILESCC(C)(C)C1CCC2(CC1)OCCS2
InChIInChI=1S/C12H22OS/c1-11(2,3)10-4-6-12(7-5-10)13-8-9-14-12/h10H,4-9H2,1-3H3
InChIKeyDEUIJKZRHPPMPL-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.37
LogP ≤ 53.68
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
7-Ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane
CID 59278935
2-(1-Cyclohexyl-4-ethylsulfanylbutyl)oxolane
CID 70456790
8-Tert-butyl-1-oxa-4-thiaspiro[4.5]decan-2-one
CID 85898714
1-(4-Tert-butyl-3-methoxycyclohexyl)thiolan-1-ium
CID 140458225
8,8-Dimethyl-1-oxa-4-thiaspiro[4.5]decane
CID 150171275
Ethane;7-ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane;tungsten
CID 162218828
8-Propan-2-yl-1-oxa-4-thiaspiro[4.5]decane
CID 11171650
8-Methyl-1-oxa-4-thiaspiro[4.5]decane
CID 12954650
9-Tert-butyl-3,3-dimethyl-1-oxa-5-thiaspiro[5.5]undecane
CID 101121966
2-(4-Tert-butylcyclohexyl)-1,3-oxathiolane
CID 101149243
7-Tert-butyl-1-oxa-4-thiaspiro[4.5]decane
CID 121011566

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-1-oxa-4-thiaspiro[4.5]decane?
The IUPAC name of 8-tert-butyl-1-oxa-4-thiaspiro[4.5]decane (CID 12670328) is 8-tert-butyl-1-oxa-4-thiaspiro[4.5]decane.
What is the SMILES notation for 8-tert-butyl-1-oxa-4-thiaspiro[4.5]decane?
The canonical SMILES for 8-tert-butyl-1-oxa-4-thiaspiro[4.5]decane is CC(C)(C)C1CCC2(CC1)OCCS2.
What is the InChIKey of 8-tert-butyl-1-oxa-4-thiaspiro[4.5]decane?
The InChIKey is DEUIJKZRHPPMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OS/c1-11(2,3)10-4-6-12(7-5-10)13-8-9-14-12/h10H,4-9H2,1-3H3.
What are the key properties of 8-tert-butyl-1-oxa-4-thiaspiro[4.5]decane?
8-tert-butyl-1-oxa-4-thiaspiro[4.5]decane has a molecular weight of 214.37 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-1-oxa-4-thiaspiro[4.5]decane is sourced from PubChem (CID 12670328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).