(E)-1-ethylsulfanyl-3,3-dimethylbut-1-ene

C8H16S — CID 6536388

IUPAC(E)-1-ethylsulfanyl-3,3-dimethylbut-1-ene
SMILESCCS/C=C/C(C)(C)C
InChIInChI=1S/C8H16S/c1-5-9-7-6-8(2,3)4/h6-7H,5H2,1-4H3/b7-6+
InChIKeyFXSJCQQVGORPDS-VOTSOKGWSA-N
MW144.28 g/mol
LogP3.30
Rot. Bonds2

About (E)-1-ethylsulfanyl-3,3-dimethylbut-1-ene

(E)-1-ethylsulfanyl-3,3-dimethylbut-1-ene (PubChem CID 6536388) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is (E)-1-ethylsulfanyl-3,3-dimethylbut-1-ene.

Molecular Properties

Compound Name(E)-1-ethylsulfanyl-3,3-dimethylbut-1-ene
PubChem CID6536388
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name(E)-1-ethylsulfanyl-3,3-dimethylbut-1-ene
SMILESCCS/C=C/C(C)(C)C
InChIInChI=1S/C8H16S/c1-5-9-7-6-8(2,3)4/h6-7H,5H2,1-4H3/b7-6+
InChIKeyFXSJCQQVGORPDS-VOTSOKGWSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-1-butylsulfanyl-3,3-dimethylbut-1-ene
CID 12466311
(1Z)-1-tert-butylsulfanyl-3-methylbuta-1,3-diene
CID 13115309
(E)-1-tert-butylsulfanylhex-1-ene
CID 13468728
2-But-3-enylsulfanyl-2-methylpropane
CID 12385580
Butenyl butyl sulfide
CID 85404793
1-[(E)-but-1-enyl]sulfanylbutane
CID 11116182
(E)-1-tert-butylsulfanyl-3,3-dimethylbut-1-ene
CID 12466314
(E)-3,3-dimethyl-1-methylsulfanylbut-1-ene
CID 12514290
(E)-1-butan-2-ylsulfanylbut-1-ene
CID 13096404
2,2,6,6-Tetramethyl-3-propylsulfanylhepta-3,4-diene
CID 85852331
CID 139242697
CID 139242697
Butenyl(prenyl)thioether
CID 145865389

Frequently Asked Questions

What is the IUPAC name of (E)-1-ethylsulfanyl-3,3-dimethylbut-1-ene?
The IUPAC name of (E)-1-ethylsulfanyl-3,3-dimethylbut-1-ene (CID 6536388) is (E)-1-ethylsulfanyl-3,3-dimethylbut-1-ene.
What is the SMILES notation for (E)-1-ethylsulfanyl-3,3-dimethylbut-1-ene?
The canonical SMILES for (E)-1-ethylsulfanyl-3,3-dimethylbut-1-ene is CCS/C=C/C(C)(C)C.
What is the InChIKey of (E)-1-ethylsulfanyl-3,3-dimethylbut-1-ene?
The InChIKey is FXSJCQQVGORPDS-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H16S/c1-5-9-7-6-8(2,3)4/h6-7H,5H2,1-4H3/b7-6+.
What are the key properties of (E)-1-ethylsulfanyl-3,3-dimethylbut-1-ene?
(E)-1-ethylsulfanyl-3,3-dimethylbut-1-ene has a molecular weight of 144.28 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethylsulfanyl-3,3-dimethylbut-1-ene is sourced from PubChem (CID 6536388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).