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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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).