(E)-3-tert-butylsulfonylhex-2-ene

C10H20O2S — CID 134942989

IUPAC(E)-3-tert-butylsulfonylhex-2-ene
SMILESC/C=C(\CCC)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H20O2S/c1-6-8-9(7-2)13(11,12)10(3,4)5/h7H,6,8H2,1-5H3/b9-7+
InChIKeyCXOSGDPVOYIHKZ-VQHVLOKHSA-N
MW204.33 g/mol
LogP2.90
Rot. Bonds3

About (E)-3-tert-butylsulfonylhex-2-ene

(E)-3-tert-butylsulfonylhex-2-ene (PubChem CID 134942989) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is (E)-3-tert-butylsulfonylhex-2-ene.

Molecular Properties

Compound Name(E)-3-tert-butylsulfonylhex-2-ene
PubChem CID134942989
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name(E)-3-tert-butylsulfonylhex-2-ene
SMILESC/C=C(\CCC)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H20O2S/c1-6-8-9(7-2)13(11,12)10(3,4)5/h7H,6,8H2,1-5H3/b9-7+
InChIKeyCXOSGDPVOYIHKZ-VQHVLOKHSA-N
XLogP2.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thiophene, 2,5-dihydro-3-(4-methyl-3-penten-1-yl)-, 1,1-dioxide
CID 74963
Thiophene, 2,5-bis(1,1-dimethylethyl)-, 1,1-dioxide
CID 138742
Cyclohexenyl sulfone
CID 316158
(E)-2-(3,7-Dimethyl-2,6-octadienyl)-2,5-dihydro-3-methyl-thiophene 1,1-Dioxide
CID 10061907
(3S)-3-tert-butylsulfonylcyclohexene
CID 10932538
(3S)-3-tert-butylsulfonylcyclopentene
CID 102116147
(E,4S)-4-tert-butylsulfonylpent-2-ene
CID 138969022
(2E)-3,7-dimethyl-1-methylsulfonylocta-2,6-diene
CID 56942406
Cyclopentenylsulfon
CID 57285083
3-(4,8-Dimethylnona-3,7-dien-1-yl)-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione
CID 71337813
2,5-Diethyl-2,5-dihydrothiophene 1,1-dioxide
CID 13441953
4-propyl-2H-thiete 1,1-dioxide
CID 10964654

Frequently Asked Questions

What is the IUPAC name of (E)-3-tert-butylsulfonylhex-2-ene?
The IUPAC name of (E)-3-tert-butylsulfonylhex-2-ene (CID 134942989) is (E)-3-tert-butylsulfonylhex-2-ene.
What is the SMILES notation for (E)-3-tert-butylsulfonylhex-2-ene?
The canonical SMILES for (E)-3-tert-butylsulfonylhex-2-ene is C/C=C(\CCC)S(=O)(=O)C(C)(C)C.
What is the InChIKey of (E)-3-tert-butylsulfonylhex-2-ene?
The InChIKey is CXOSGDPVOYIHKZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H20O2S/c1-6-8-9(7-2)13(11,12)10(3,4)5/h7H,6,8H2,1-5H3/b9-7+.
What are the key properties of (E)-3-tert-butylsulfonylhex-2-ene?
(E)-3-tert-butylsulfonylhex-2-ene has a molecular weight of 204.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-tert-butylsulfonylhex-2-ene is sourced from PubChem (CID 134942989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).