(E)-4-(2-methylsulfonylethyl)hept-3-ene

C10H20O2S — CID 90474647

IUPAC(E)-4-(2-methylsulfonylethyl)hept-3-ene
SMILESCC/C=C(\CCC)CCS(C)(=O)=O
InChIInChI=1S/C10H20O2S/c1-4-6-10(7-5-2)8-9-13(3,11)12/h6H,4-5,7-9H2,1-3H3/b10-6+
InChIKeyMAMDFCLBWRLYJI-UXBLZVDNSA-N
MW204.33 g/mol
LogP2.56
Rot. Bonds6

About (E)-4-(2-methylsulfonylethyl)hept-3-ene

(E)-4-(2-methylsulfonylethyl)hept-3-ene (PubChem CID 90474647) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is (E)-4-(2-methylsulfonylethyl)hept-3-ene.

Molecular Properties

Compound Name(E)-4-(2-methylsulfonylethyl)hept-3-ene
PubChem CID90474647
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name(E)-4-(2-methylsulfonylethyl)hept-3-ene
SMILESCC/C=C(\CCC)CCS(C)(=O)=O
InChIInChI=1S/C10H20O2S/c1-4-6-10(7-5-2)8-9-13(3,11)12/h6H,4-5,7-9H2,1-3H3/b10-6+
InChIKeyMAMDFCLBWRLYJI-UXBLZVDNSA-N
XLogP2.56
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Thiophene, 2,5-dihydro-3-(4-methyl-3-penten-1-yl)-, 1,1-dioxide
CID 74963
(E)-2-(3,7-Dimethyl-2,6-octadienyl)-2,5-dihydro-3-methyl-thiophene 1,1-Dioxide
CID 10061907
3,4-Dimethyl-2-prop-2-enyl-2,5-dihydrothiophene 1,1-dioxide
CID 6420227
(3S)-3-tert-butylsulfonylcyclohexene
CID 10932538
(3S)-3-tert-butylsulfonylcycloheptene
CID 15550936
(1Z,3S)-3-tert-butylsulfonylcyclooctene
CID 15550937
(3S)-3-tert-butylsulfonylcyclopentene
CID 102116147
Geranyl sulfone
CID 10131962
Farnesyl sulfone
CID 53959402
1-(3,7-Dimethylocta-2,6-dienylsulfonyl)-3,7-dimethylocta-2,6-diene
CID 54194387
(2E)-3,7-dimethyl-1-methylsulfonylocta-2,6-diene
CID 56942406
5-Methylsulfonylcyclooctene
CID 67958396

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-methylsulfonylethyl)hept-3-ene?
The IUPAC name of (E)-4-(2-methylsulfonylethyl)hept-3-ene (CID 90474647) is (E)-4-(2-methylsulfonylethyl)hept-3-ene.
What is the SMILES notation for (E)-4-(2-methylsulfonylethyl)hept-3-ene?
The canonical SMILES for (E)-4-(2-methylsulfonylethyl)hept-3-ene is CC/C=C(\CCC)CCS(C)(=O)=O.
What is the InChIKey of (E)-4-(2-methylsulfonylethyl)hept-3-ene?
The InChIKey is MAMDFCLBWRLYJI-UXBLZVDNSA-N. The full InChI is InChI=1S/C10H20O2S/c1-4-6-10(7-5-2)8-9-13(3,11)12/h6H,4-5,7-9H2,1-3H3/b10-6+.
What are the key properties of (E)-4-(2-methylsulfonylethyl)hept-3-ene?
(E)-4-(2-methylsulfonylethyl)hept-3-ene has a molecular weight of 204.33 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-methylsulfonylethyl)hept-3-ene is sourced from PubChem (CID 90474647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).