(E)-7-ethylsulfanylhept-2-ene

C9H18S — CID 173027184

IUPAC(E)-7-ethylsulfanylhept-2-ene
SMILESC/C=C/CCCCSCC
InChIInChI=1S/C9H18S/c1-3-5-6-7-8-9-10-4-2/h3,5H,4,6-9H2,1-2H3/b5-3+
InChIKeyFWSAJSNSORALHP-HWKANZROSA-N
MW158.31 g/mol
LogP3.49
Rot. Bonds6

About (E)-7-ethylsulfanylhept-2-ene

(E)-7-ethylsulfanylhept-2-ene (PubChem CID 173027184) has the molecular formula C9H18S and a molecular weight of 158.31 g/mol. Its IUPAC name is (E)-7-ethylsulfanylhept-2-ene.

Molecular Properties

Compound Name(E)-7-ethylsulfanylhept-2-ene
PubChem CID173027184
Molecular FormulaC9H18S
Molecular Weight158.31 g/mol
Exact Mass158.11
IUPAC Name(E)-7-ethylsulfanylhept-2-ene
SMILESC/C=C/CCCCSCC
InChIInChI=1S/C9H18S/c1-3-5-6-7-8-9-10-4-2/h3,5H,4,6-9H2,1-2H3/b5-3+
InChIKeyFWSAJSNSORALHP-HWKANZROSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.31
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-ethylsulfanyloctadec-9-ene
CID 57046814
(E)-6-propylsulfanylhex-2-ene
CID 173027131
7-methylsulfanylhept-2-ene
CID 91131968
1-pent-3-enylsulfanylpentane
CID 123423871
(Z)-oct-2-ene
CID 5356796
hentriaconta-2,10,29-triene
CID 150025785
bis(dodeca-2,10-diene);methane
CID 159815244
icosa-2,10,18-triene
CID 74063823
(Z)-icos-2-ene
CID 5352524
oct-2-ene;hydrochloride
CID 86744102
octadeca-2,10-diene
CID 54270716
(2E,8Z)-pentadeca-2,8-diene
CID 173032001

Frequently Asked Questions

What is the IUPAC name of (E)-7-ethylsulfanylhept-2-ene?
The IUPAC name of (E)-7-ethylsulfanylhept-2-ene (CID 173027184) is (E)-7-ethylsulfanylhept-2-ene.
What is the SMILES notation for (E)-7-ethylsulfanylhept-2-ene?
The canonical SMILES for (E)-7-ethylsulfanylhept-2-ene is C/C=C/CCCCSCC.
What is the InChIKey of (E)-7-ethylsulfanylhept-2-ene?
The InChIKey is FWSAJSNSORALHP-HWKANZROSA-N. The full InChI is InChI=1S/C9H18S/c1-3-5-6-7-8-9-10-4-2/h3,5H,4,6-9H2,1-2H3/b5-3+.
What are the key properties of (E)-7-ethylsulfanylhept-2-ene?
(E)-7-ethylsulfanylhept-2-ene has a molecular weight of 158.31 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-ethylsulfanylhept-2-ene is sourced from PubChem (CID 173027184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).