(E)-1-methylsulfinylhept-2-ene

C8H16OS — CID 14024910

IUPAC(E)-1-methylsulfinylhept-2-ene
SMILESCCCC/C=C/CS(C)=O
InChIInChI=1S/C8H16OS/c1-3-4-5-6-7-8-10(2)9/h6-7H,3-5,8H2,1-2H3/b7-6+
InChIKeyVZFXAAMXWJGWKO-VOTSOKGWSA-N
MW160.28 g/mol
LogP2.11
Rot. Bonds5

About (E)-1-methylsulfinylhept-2-ene

(E)-1-methylsulfinylhept-2-ene (PubChem CID 14024910) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is (E)-1-methylsulfinylhept-2-ene.

Molecular Properties

Compound Name(E)-1-methylsulfinylhept-2-ene
PubChem CID14024910
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name(E)-1-methylsulfinylhept-2-ene
SMILESCCCC/C=C/CS(C)=O
InChIInChI=1S/C8H16OS/c1-3-4-5-6-7-8-10(2)9/h6-7H,3-5,8H2,1-2H3/b7-6+
InChIKeyVZFXAAMXWJGWKO-VOTSOKGWSA-N
XLogP2.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.11
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

(E)-1-methylsulfanylhept-2-ene
CID 13215828
(E)-1-methylsulfanyloct-3-ene
CID 14024902
(E)-1-methylsulfinyloct-3-ene
CID 14024908
(2E)-3,7-dimethyl-1-methylsulfonylocta-2,6-diene
CID 56942406
2-Butylthiopyrane oxide
CID 70256276
(E)-1-methylsulfanyloct-2-ene
CID 13323220
2-[(E)-hept-1-enyl]-2,5-dihydrothiophene 1,1-dioxide
CID 13428434
(E)-1-methylsulfinyl-hept-3-ene
CID 14024906
Oleylmethylsulphoxide
CID 129695391
Butylthiosulfolene
CID 129790363
(1S,2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide
CID 134994578
(5E)-5-methyl-7-[(2E)-3-methylhepta-2,6-dienyl]sulfinylhepta-1,5-diene
CID 134995242

Frequently Asked Questions

What is the IUPAC name of (E)-1-methylsulfinylhept-2-ene?
The IUPAC name of (E)-1-methylsulfinylhept-2-ene (CID 14024910) is (E)-1-methylsulfinylhept-2-ene.
What is the SMILES notation for (E)-1-methylsulfinylhept-2-ene?
The canonical SMILES for (E)-1-methylsulfinylhept-2-ene is CCCC/C=C/CS(C)=O.
What is the InChIKey of (E)-1-methylsulfinylhept-2-ene?
The InChIKey is VZFXAAMXWJGWKO-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H16OS/c1-3-4-5-6-7-8-10(2)9/h6-7H,3-5,8H2,1-2H3/b7-6+.
What are the key properties of (E)-1-methylsulfinylhept-2-ene?
(E)-1-methylsulfinylhept-2-ene has a molecular weight of 160.28 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methylsulfinylhept-2-ene is sourced from PubChem (CID 14024910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).