(E)-1-bromo-3-ethyl-1-ethylsulfanylhept-1-ene

C11H21BrS — CID 102205453

IUPAC(E)-1-bromo-3-ethyl-1-ethylsulfanylhept-1-ene
SMILESCCCCC(/C=C(/Br)SCC)CC
InChIInChI=1S/C11H21BrS/c1-4-7-8-10(5-2)9-11(12)13-6-3/h9-10H,4-8H2,1-3H3/b11-9-
InChIKeyBSTRHIXCGJXJLO-LUAWRHEFSA-N
MW265.26 g/mol
LogP5.19
Rot. Bonds7

About (E)-1-bromo-3-ethyl-1-ethylsulfanylhept-1-ene

(E)-1-bromo-3-ethyl-1-ethylsulfanylhept-1-ene (PubChem CID 102205453) has the molecular formula C11H21BrS and a molecular weight of 265.26 g/mol. Its IUPAC name is (E)-1-bromo-3-ethyl-1-ethylsulfanylhept-1-ene.

Molecular Properties

Compound Name(E)-1-bromo-3-ethyl-1-ethylsulfanylhept-1-ene
PubChem CID102205453
Molecular FormulaC11H21BrS
Molecular Weight265.26 g/mol
Exact Mass264.05
IUPAC Name(E)-1-bromo-3-ethyl-1-ethylsulfanylhept-1-ene
SMILESCCCCC(/C=C(/Br)SCC)CC
InChIInChI=1S/C11H21BrS/c1-4-7-8-10(5-2)9-11(12)13-6-3/h9-10H,4-8H2,1-3H3/b11-9-
InChIKeyBSTRHIXCGJXJLO-LUAWRHEFSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.26
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(E)-2-bromo-2-methylsulfanylethenyl]cyclohexane
CID 11207067
(E)-1-bromo-3-ethyl-1-methylsulfanylhept-1-ene
CID 11322689
5-Bromo-3-hexyl-2,3-dihydrothiophene
CID 123501371
(Z)-1-bromo-3-ethyl-1-methylsulfanylhept-1-ene
CID 15530579
CID 101181297
CID 101181297
4-(Bromomethyl)-7-(methylsulfanyl)hept-1-ene
CID 165442981

Frequently Asked Questions

What is the IUPAC name of (E)-1-bromo-3-ethyl-1-ethylsulfanylhept-1-ene?
The IUPAC name of (E)-1-bromo-3-ethyl-1-ethylsulfanylhept-1-ene (CID 102205453) is (E)-1-bromo-3-ethyl-1-ethylsulfanylhept-1-ene.
What is the SMILES notation for (E)-1-bromo-3-ethyl-1-ethylsulfanylhept-1-ene?
The canonical SMILES for (E)-1-bromo-3-ethyl-1-ethylsulfanylhept-1-ene is CCCCC(/C=C(/Br)SCC)CC.
What is the InChIKey of (E)-1-bromo-3-ethyl-1-ethylsulfanylhept-1-ene?
The InChIKey is BSTRHIXCGJXJLO-LUAWRHEFSA-N. The full InChI is InChI=1S/C11H21BrS/c1-4-7-8-10(5-2)9-11(12)13-6-3/h9-10H,4-8H2,1-3H3/b11-9-.
What are the key properties of (E)-1-bromo-3-ethyl-1-ethylsulfanylhept-1-ene?
(E)-1-bromo-3-ethyl-1-ethylsulfanylhept-1-ene has a molecular weight of 265.26 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-bromo-3-ethyl-1-ethylsulfanylhept-1-ene is sourced from PubChem (CID 102205453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).