2,5,6-trimethyl-2-propan-2-ylthiane

C11H22S — CID 130207541

IUPAC2,5,6-trimethyl-2-propan-2-ylthiane
SMILESCC1CCC(C)(C(C)C)SC1C
InChIInChI=1S/C11H22S/c1-8(2)11(5)7-6-9(3)10(4)12-11/h8-10H,6-7H2,1-5H3
InChIKeyACJNBRFOSWQRDM-UHFFFAOYSA-N
MW186.36 g/mol
LogP3.95
Rot. Bonds1

About 2,5,6-trimethyl-2-propan-2-ylthiane

2,5,6-trimethyl-2-propan-2-ylthiane (PubChem CID 130207541) has the molecular formula C11H22S and a molecular weight of 186.36 g/mol. Its IUPAC name is 2,5,6-trimethyl-2-propan-2-ylthiane.

Molecular Properties

Compound Name2,5,6-trimethyl-2-propan-2-ylthiane
PubChem CID130207541
Molecular FormulaC11H22S
Molecular Weight186.36 g/mol
Exact Mass186.14
IUPAC Name2,5,6-trimethyl-2-propan-2-ylthiane
SMILESCC1CCC(C)(C(C)C)SC1C
InChIInChI=1S/C11H22S/c1-8(2)11(5)7-6-9(3)10(4)12-11/h8-10H,6-7H2,1-5H3
InChIKeyACJNBRFOSWQRDM-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.36
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1,3,4-trimethyl-1-propan-2-ylcyclohexane
CID 177218946
(1R,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexane
CID 11983968
3,4-dimethyl-1-propan-2-ylcyclohexan-1-amine
CID 64733574
(1S,3S,4R)-1,3,4-trimethylcyclohexan-1-amine
CID 124508954
1,4-dimethylbicyclo[3.2.0]hept-6-ene
CID 90487116
(1R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-6-one
CID 97304979
1-ethyl-3,4-dimethyl-1-propan-2-ylcyclohexane
CID 91374055
(1S,3R,4S)-4-methyl-1-propan-2-ylcyclohexane-1,3-diol
CID 130992035
1,2-dimethylcyclobutane;2-methylpropane
CID 143728444
1-ethyl-1,3-dimethyl-2-pentan-3-ylcyclopentane
CID 91358299
cis-(1S,5R)-2,2,5-trimethylcyclopentan-1-ol
CID 101036298
1,2,3-trimethylcyclopentan-1-ol
CID 23077337

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-2-propan-2-ylthiane?
The IUPAC name of 2,5,6-trimethyl-2-propan-2-ylthiane (CID 130207541) is 2,5,6-trimethyl-2-propan-2-ylthiane.
What is the SMILES notation for 2,5,6-trimethyl-2-propan-2-ylthiane?
The canonical SMILES for 2,5,6-trimethyl-2-propan-2-ylthiane is CC1CCC(C)(C(C)C)SC1C.
What is the InChIKey of 2,5,6-trimethyl-2-propan-2-ylthiane?
The InChIKey is ACJNBRFOSWQRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22S/c1-8(2)11(5)7-6-9(3)10(4)12-11/h8-10H,6-7H2,1-5H3.
What are the key properties of 2,5,6-trimethyl-2-propan-2-ylthiane?
2,5,6-trimethyl-2-propan-2-ylthiane has a molecular weight of 186.36 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-2-propan-2-ylthiane is sourced from PubChem (CID 130207541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).