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

C11H21ClS — CID 102205451

IUPAC(E)-1-chloro-3-ethyl-1-ethylsulfanylhept-1-ene
SMILESCCCCC(/C=C(/Cl)SCC)CC
InChIInChI=1S/C11H21ClS/c1-4-7-8-10(5-2)9-11(12)13-6-3/h9-10H,4-8H2,1-3H3/b11-9-
InChIKeyYDHZQLBPZHLNAW-LUAWRHEFSA-N
MW220.81 g/mol
LogP5.04
Rot. Bonds7

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

(E)-1-chloro-3-ethyl-1-ethylsulfanylhept-1-ene (PubChem CID 102205451) has the molecular formula C11H21ClS and a molecular weight of 220.81 g/mol. Its IUPAC name is (E)-1-chloro-3-ethyl-1-ethylsulfanylhept-1-ene.

Molecular Properties

Compound Name(E)-1-chloro-3-ethyl-1-ethylsulfanylhept-1-ene
PubChem CID102205451
Molecular FormulaC11H21ClS
Molecular Weight220.81 g/mol
Exact Mass220.11
IUPAC Name(E)-1-chloro-3-ethyl-1-ethylsulfanylhept-1-ene
SMILESCCCCC(/C=C(/Cl)SCC)CC
InChIInChI=1S/C11H21ClS/c1-4-7-8-10(5-2)9-11(12)13-6-3/h9-10H,4-8H2,1-3H3/b11-9-
InChIKeyYDHZQLBPZHLNAW-LUAWRHEFSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.81
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 101181296
CID 101181296
CID 101181297
CID 101181297

Frequently Asked Questions

What is the IUPAC name of (E)-1-chloro-3-ethyl-1-ethylsulfanylhept-1-ene?
The IUPAC name of (E)-1-chloro-3-ethyl-1-ethylsulfanylhept-1-ene (CID 102205451) is (E)-1-chloro-3-ethyl-1-ethylsulfanylhept-1-ene.
What is the SMILES notation for (E)-1-chloro-3-ethyl-1-ethylsulfanylhept-1-ene?
The canonical SMILES for (E)-1-chloro-3-ethyl-1-ethylsulfanylhept-1-ene is CCCCC(/C=C(/Cl)SCC)CC.
What is the InChIKey of (E)-1-chloro-3-ethyl-1-ethylsulfanylhept-1-ene?
The InChIKey is YDHZQLBPZHLNAW-LUAWRHEFSA-N. The full InChI is InChI=1S/C11H21ClS/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-chloro-3-ethyl-1-ethylsulfanylhept-1-ene?
(E)-1-chloro-3-ethyl-1-ethylsulfanylhept-1-ene has a molecular weight of 220.81 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-3-ethyl-1-ethylsulfanylhept-1-ene is sourced from PubChem (CID 102205451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).