7-methylsulfanylhept-2-ene

C8H16S — CID 91131968

IUPAC7-methylsulfanylhept-2-ene
SMILESCC=CCCCCSC
InChIInChI=1S/C8H16S/c1-3-4-5-6-7-8-9-2/h3-4H,5-8H2,1-2H3
InChIKeyUEFHPMNDISPQGY-UHFFFAOYSA-N
MW144.28 g/mol
LogP3.10
Rot. Bonds5

About 7-methylsulfanylhept-2-ene

7-methylsulfanylhept-2-ene (PubChem CID 91131968) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is 7-methylsulfanylhept-2-ene.

Molecular Properties

Compound Name7-methylsulfanylhept-2-ene
PubChem CID91131968
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name7-methylsulfanylhept-2-ene
SMILESCC=CCCCCSC
InChIInChI=1S/C8H16S/c1-3-4-5-6-7-8-9-2/h3-4H,5-8H2,1-2H3
InChIKeyUEFHPMNDISPQGY-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 53.10
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

(Z)-N-(2-methylsulfanylethyl)hept-5-en-1-amine
CID 140598914
(E)-7-ethylsulfanylhept-2-ene
CID 173027184
hentriaconta-2,10,29-triene
CID 150025785
bis(dodeca-2,10-diene);methane
CID 159815244
icosa-2,10,18-triene
CID 74063823
(Z)-oct-2-ene
CID 5356796
(Z)-hept-5-en-1-amine
CID 55299761
oct-2-ene;hydrochloride
CID 86744102
(Z)-icos-2-ene
CID 5352524
(E)-6-propylsulfanylhex-2-ene
CID 173027131
dodeca-1,10-dienoxysilane
CID 174531589
dec-8-ene-1-thiol
CID 90992267

Frequently Asked Questions

What is the IUPAC name of 7-methylsulfanylhept-2-ene?
The IUPAC name of 7-methylsulfanylhept-2-ene (CID 91131968) is 7-methylsulfanylhept-2-ene.
What is the SMILES notation for 7-methylsulfanylhept-2-ene?
The canonical SMILES for 7-methylsulfanylhept-2-ene is CC=CCCCCSC.
What is the InChIKey of 7-methylsulfanylhept-2-ene?
The InChIKey is UEFHPMNDISPQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S/c1-3-4-5-6-7-8-9-2/h3-4H,5-8H2,1-2H3.
What are the key properties of 7-methylsulfanylhept-2-ene?
7-methylsulfanylhept-2-ene has a molecular weight of 144.28 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfanylhept-2-ene is sourced from PubChem (CID 91131968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).