4,8-dimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane

C15H28S — CID 20583873

IUPAC4,8-dimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane
SMILESCC1CCSC2(C1)CC(C)CCC2C(C)C
InChIInChI=1S/C15H28S/c1-11(2)14-6-5-12(3)9-15(14)10-13(4)7-8-16-15/h11-14H,5-10H2,1-4H3
InChIKeyCOSGULUCCZZTSV-UHFFFAOYSA-N
MW240.46 g/mol
LogP4.98
Rot. Bonds1

About 4,8-dimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane

4,8-dimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane (PubChem CID 20583873) has the molecular formula C15H28S and a molecular weight of 240.46 g/mol. Its IUPAC name is 4,8-dimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane.

Molecular Properties

Compound Name4,8-dimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane
PubChem CID20583873
Molecular FormulaC15H28S
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name4,8-dimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane
SMILESCC1CCSC2(C1)CC(C)CCC2C(C)C
InChIInChI=1S/C15H28S/c1-11(2)14-6-5-12(3)9-15(14)10-13(4)7-8-16-15/h11-14H,5-10H2,1-4H3
InChIKeyCOSGULUCCZZTSV-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Cyclohexylthiane
CID 543539
3-Cyclohexylthiane
CID 568197
1,5-Dithiaspiro[5.5]undecane, 10-methyl-7-(1-methylethyl)-
CID 594637
4-Methyl-1-thiade ca lin
CID 12396273
9-Methyl-1-thiadecalin
CID 12396281
p-Menth-3-yl methyl sulphide
CID 12326071
Neomenthylsulfide
CID 129699848
(1S,2S,4R)-4-methyl-2-methylsulfanyl-1-propan-2-ylcyclohexane
CID 12326074
(8S,11R)-8-methyl-11-propan-2-yl-1,5-dithiaspiro[5.5]undecane
CID 101998926
Pentyl-2-thiabicyclo[4.4.0]decane
CID 129881653
Methyl(2-(4-methyl-3-(methylthio)cyclohexyl)propyl)sulfane
CID 134128385
(+)-1,5,5-Trimethyl-2-thiabicyclo[2.2.2]octane
CID 86846

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane?
The IUPAC name of 4,8-dimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane (CID 20583873) is 4,8-dimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane.
What is the SMILES notation for 4,8-dimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane?
The canonical SMILES for 4,8-dimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane is CC1CCSC2(C1)CC(C)CCC2C(C)C.
What is the InChIKey of 4,8-dimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane?
The InChIKey is COSGULUCCZZTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28S/c1-11(2)14-6-5-12(3)9-15(14)10-13(4)7-8-16-15/h11-14H,5-10H2,1-4H3.
What are the key properties of 4,8-dimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane?
4,8-dimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane has a molecular weight of 240.46 g/mol, XLogP of 4.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane is sourced from PubChem (CID 20583873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).