(E)-1-tert-butylsulfanyl-3-methoxyhex-1-ene

C11H22OS — CID 13183464

IUPAC(E)-1-tert-butylsulfanyl-3-methoxyhex-1-ene
SMILESCCCC(/C=C/SC(C)(C)C)OC
InChIInChI=1S/C11H22OS/c1-6-7-10(12-5)8-9-13-11(2,3)4/h8-10H,6-7H2,1-5H3/b9-8+
InChIKeyGUBSIHRSIGEHRB-CMDGGOBGSA-N
MW202.36 g/mol
LogP3.85
Rot. Bonds5

About (E)-1-tert-butylsulfanyl-3-methoxyhex-1-ene

(E)-1-tert-butylsulfanyl-3-methoxyhex-1-ene (PubChem CID 13183464) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol. Its IUPAC name is (E)-1-tert-butylsulfanyl-3-methoxyhex-1-ene.

Molecular Properties

Compound Name(E)-1-tert-butylsulfanyl-3-methoxyhex-1-ene
PubChem CID13183464
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC Name(E)-1-tert-butylsulfanyl-3-methoxyhex-1-ene
SMILESCCCC(/C=C/SC(C)(C)C)OC
InChIInChI=1S/C11H22OS/c1-6-7-10(12-5)8-9-13-11(2,3)4/h8-10H,6-7H2,1-5H3/b9-8+
InChIKeyGUBSIHRSIGEHRB-CMDGGOBGSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 53.85
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-methoxyhex-1-ene?
The IUPAC name of (E)-1-tert-butylsulfanyl-3-methoxyhex-1-ene (CID 13183464) is (E)-1-tert-butylsulfanyl-3-methoxyhex-1-ene.
What is the SMILES notation for (E)-1-tert-butylsulfanyl-3-methoxyhex-1-ene?
The canonical SMILES for (E)-1-tert-butylsulfanyl-3-methoxyhex-1-ene is CCCC(/C=C/SC(C)(C)C)OC.
What is the InChIKey of (E)-1-tert-butylsulfanyl-3-methoxyhex-1-ene?
The InChIKey is GUBSIHRSIGEHRB-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H22OS/c1-6-7-10(12-5)8-9-13-11(2,3)4/h8-10H,6-7H2,1-5H3/b9-8+.
What are the key properties of (E)-1-tert-butylsulfanyl-3-methoxyhex-1-ene?
(E)-1-tert-butylsulfanyl-3-methoxyhex-1-ene has a molecular weight of 202.36 g/mol, XLogP of 3.85, 5 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-methoxyhex-1-ene is sourced from PubChem (CID 13183464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).