(E,4S)-4-tert-butylsulfonylpent-2-ene

C9H18O2S — CID 138969022

IUPAC(E,4S)-4-tert-butylsulfonylpent-2-ene
SMILESC/C=C/[C@H](C)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H18O2S/c1-6-7-8(2)12(10,11)9(3,4)5/h6-8H,1-5H3/b7-6+/t8-/m0/s1
InChIKeyZSUQQAKRPIKTDL-CZEYKFRCSA-N
MW190.31 g/mol
LogP2.16
Rot. Bonds2

About (E,4S)-4-tert-butylsulfonylpent-2-ene

(E,4S)-4-tert-butylsulfonylpent-2-ene (PubChem CID 138969022) has the molecular formula C9H18O2S and a molecular weight of 190.31 g/mol. Its IUPAC name is (E,4S)-4-tert-butylsulfonylpent-2-ene.

Molecular Properties

Compound Name(E,4S)-4-tert-butylsulfonylpent-2-ene
PubChem CID138969022
Molecular FormulaC9H18O2S
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Name(E,4S)-4-tert-butylsulfonylpent-2-ene
SMILESC/C=C/[C@H](C)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H18O2S/c1-6-7-8(2)12(10,11)9(3,4)5/h6-8H,1-5H3/b7-6+/t8-/m0/s1
InChIKeyZSUQQAKRPIKTDL-CZEYKFRCSA-N
XLogP2.16
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 52.16
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-2,4-dimethyl-, 1,1-dioxide
CID 24839
Thiophene, 2,5-dihydro-3-(4-methyl-3-penten-1-yl)-, 1,1-dioxide
CID 74963
Thiophene, 2,5-dihydro-2-methyl-, 1,1-dioxide
CID 22330
3-Ethyl-2,5-dihydrothiophene 1,1-dioxide
CID 2724015
(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
(3S)-3-tert-butylsulfonylcyclopentene
CID 102116147
Geranyl sulfone
CID 10131962
Thiophene, 2,3-dihydro-5-methyl-, 1,1-dioxide
CID 12266072
Farnesyl sulfone
CID 53959402

Frequently Asked Questions

What is the IUPAC name of (E,4S)-4-tert-butylsulfonylpent-2-ene?
The IUPAC name of (E,4S)-4-tert-butylsulfonylpent-2-ene (CID 138969022) is (E,4S)-4-tert-butylsulfonylpent-2-ene.
What is the SMILES notation for (E,4S)-4-tert-butylsulfonylpent-2-ene?
The canonical SMILES for (E,4S)-4-tert-butylsulfonylpent-2-ene is C/C=C/[C@H](C)S(=O)(=O)C(C)(C)C.
What is the InChIKey of (E,4S)-4-tert-butylsulfonylpent-2-ene?
The InChIKey is ZSUQQAKRPIKTDL-CZEYKFRCSA-N. The full InChI is InChI=1S/C9H18O2S/c1-6-7-8(2)12(10,11)9(3,4)5/h6-8H,1-5H3/b7-6+/t8-/m0/s1.
What are the key properties of (E,4S)-4-tert-butylsulfonylpent-2-ene?
(E,4S)-4-tert-butylsulfonylpent-2-ene has a molecular weight of 190.31 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S)-4-tert-butylsulfonylpent-2-ene is sourced from PubChem (CID 138969022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).