(E)-1-tert-butylsulfanyl-3-methoxy-2-methylbut-1-ene

C10H20OS — CID 13197527

IUPAC(E)-1-tert-butylsulfanyl-3-methoxy-2-methylbut-1-ene
SMILESCOC(C)/C(C)=C/SC(C)(C)C
InChIInChI=1S/C10H20OS/c1-8(9(2)11-6)7-12-10(3,4)5/h7,9H,1-6H3/b8-7+
InChIKeyWCEJVXOZKQZLHR-BQYQJAHWSA-N
MW188.34 g/mol
LogP3.46
Rot. Bonds3

About (E)-1-tert-butylsulfanyl-3-methoxy-2-methylbut-1-ene

(E)-1-tert-butylsulfanyl-3-methoxy-2-methylbut-1-ene (PubChem CID 13197527) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is (E)-1-tert-butylsulfanyl-3-methoxy-2-methylbut-1-ene.

Molecular Properties

Compound Name(E)-1-tert-butylsulfanyl-3-methoxy-2-methylbut-1-ene
PubChem CID13197527
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name(E)-1-tert-butylsulfanyl-3-methoxy-2-methylbut-1-ene
SMILESCOC(C)/C(C)=C/SC(C)(C)C
InChIInChI=1S/C10H20OS/c1-8(9(2)11-6)7-12-10(3,4)5/h7,9H,1-6H3/b8-7+
InChIKeyWCEJVXOZKQZLHR-BQYQJAHWSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-1-tert-butylsulfanyl-3-methoxy-2-methylbut-1-ene?
The IUPAC name of (E)-1-tert-butylsulfanyl-3-methoxy-2-methylbut-1-ene (CID 13197527) is (E)-1-tert-butylsulfanyl-3-methoxy-2-methylbut-1-ene.
What is the SMILES notation for (E)-1-tert-butylsulfanyl-3-methoxy-2-methylbut-1-ene?
The canonical SMILES for (E)-1-tert-butylsulfanyl-3-methoxy-2-methylbut-1-ene is COC(C)/C(C)=C/SC(C)(C)C.
What is the InChIKey of (E)-1-tert-butylsulfanyl-3-methoxy-2-methylbut-1-ene?
The InChIKey is WCEJVXOZKQZLHR-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H20OS/c1-8(9(2)11-6)7-12-10(3,4)5/h7,9H,1-6H3/b8-7+.
What are the key properties of (E)-1-tert-butylsulfanyl-3-methoxy-2-methylbut-1-ene?
(E)-1-tert-butylsulfanyl-3-methoxy-2-methylbut-1-ene has a molecular weight of 188.34 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-tert-butylsulfanyl-3-methoxy-2-methylbut-1-ene is sourced from PubChem (CID 13197527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).