1-tert-butylsulfanyl-4,4-dimethylpent-1-ene

C11H22S — CID 161059652

IUPAC1-tert-butylsulfanyl-4,4-dimethylpent-1-ene
SMILESCC(C)(C)CC=CSC(C)(C)C
InChIInChI=1S/C11H22S/c1-10(2,3)8-7-9-12-11(4,5)6/h7,9H,8H2,1-6H3
InChIKeyYCZVIJFOWBFOPK-UHFFFAOYSA-N
MW186.36 g/mol
LogP4.47
Rot. Bonds2

About 1-tert-butylsulfanyl-4,4-dimethylpent-1-ene

1-tert-butylsulfanyl-4,4-dimethylpent-1-ene (PubChem CID 161059652) has the molecular formula C11H22S and a molecular weight of 186.36 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-4,4-dimethylpent-1-ene.

Molecular Properties

Compound Name1-tert-butylsulfanyl-4,4-dimethylpent-1-ene
PubChem CID161059652
Molecular FormulaC11H22S
Molecular Weight186.36 g/mol
Exact Mass186.14
IUPAC Name1-tert-butylsulfanyl-4,4-dimethylpent-1-ene
SMILESCC(C)(C)CC=CSC(C)(C)C
InChIInChI=1S/C11H22S/c1-10(2,3)8-7-9-12-11(4,5)6/h7,9H,8H2,1-6H3
InChIKeyYCZVIJFOWBFOPK-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.36
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4Z,7Z)-2,2,10,10-tetramethylundeca-4,7-diene
CID 176844045
CID 173486869
CID 173486869
(3Z,6Z,9Z)-12,12-dimethyltrideca-3,6,9-triene
CID 158835556
(E)-1-chloro-4,4-dimethylpent-1-ene
CID 147984913
1-fluoro-4,4-dimethylpent-1-ene
CID 123199486
(Z)-1-tert-butylsulfanyl-3,3-dimethylbut-1-ene;methane;yttrium
CID 158321588
4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene
CID 76700833
N-[(Z)-2-tert-butylsulfanylethenyl]methanimine
CID 167148458
1-(tert-butyldisulfanyl)-4,4-dimethylpent-1-ene;2,2,6,6-tetramethylheptan-3-one;2,2,8,8-tetramethylnon-5-en-3-one
CID 161146707
tert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane
CID 76815810
tert-butyl-[(Z)-5,5-dimethylhex-2-enoxy]-dimethylsilane
CID 58534802
[(Z)-2-tert-butylsulfanylethenyl]-trimethoxysilane
CID 101363415

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-4,4-dimethylpent-1-ene?
The IUPAC name of 1-tert-butylsulfanyl-4,4-dimethylpent-1-ene (CID 161059652) is 1-tert-butylsulfanyl-4,4-dimethylpent-1-ene.
What is the SMILES notation for 1-tert-butylsulfanyl-4,4-dimethylpent-1-ene?
The canonical SMILES for 1-tert-butylsulfanyl-4,4-dimethylpent-1-ene is CC(C)(C)CC=CSC(C)(C)C.
What is the InChIKey of 1-tert-butylsulfanyl-4,4-dimethylpent-1-ene?
The InChIKey is YCZVIJFOWBFOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22S/c1-10(2,3)8-7-9-12-11(4,5)6/h7,9H,8H2,1-6H3.
What are the key properties of 1-tert-butylsulfanyl-4,4-dimethylpent-1-ene?
1-tert-butylsulfanyl-4,4-dimethylpent-1-ene has a molecular weight of 186.36 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-4,4-dimethylpent-1-ene is sourced from PubChem (CID 161059652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).