(E)-2-propan-2-yloxy-3-propan-2-ylsulfanylbut-2-ene

C10H20OS — CID 20622238

IUPAC(E)-2-propan-2-yloxy-3-propan-2-ylsulfanylbut-2-ene
SMILESC/C(OC(C)C)=C(/C)SC(C)C
InChIInChI=1S/C10H20OS/c1-7(2)11-9(5)10(6)12-8(3)4/h7-8H,1-6H3/b10-9+
InChIKeyLHHRQJITZIEPJV-MDZDMXLPSA-N
MW188.34 g/mol
LogP3.80
Rot. Bonds4

About (E)-2-propan-2-yloxy-3-propan-2-ylsulfanylbut-2-ene

(E)-2-propan-2-yloxy-3-propan-2-ylsulfanylbut-2-ene (PubChem CID 20622238) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is (E)-2-propan-2-yloxy-3-propan-2-ylsulfanylbut-2-ene.

Molecular Properties

Compound Name(E)-2-propan-2-yloxy-3-propan-2-ylsulfanylbut-2-ene
PubChem CID20622238
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name(E)-2-propan-2-yloxy-3-propan-2-ylsulfanylbut-2-ene
SMILESC/C(OC(C)C)=C(/C)SC(C)C
InChIInChI=1S/C10H20OS/c1-7(2)11-9(5)10(6)12-8(3)4/h7-8H,1-6H3/b10-9+
InChIKeyLHHRQJITZIEPJV-MDZDMXLPSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (E)-2-propan-2-yloxy-3-propan-2-ylsulfanylbut-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-Dimethyl-2,3-dihydro-1,4-oxathiine
CID 548058
InChI=1/C6H10OS/c1-4-5(2)8-6(3)7-4/h6H,1-3H
CID 13499633
5,6-Dimethyl-2-(propan-2-yloxymethyl)-2,3-dihydro-1,4-dithiine
CID 20549613
5,6-Dimethyl-4-methylidene-2,3-dihydro-1,4-oxathiine
CID 20658718
2,3-dimethyl-6,7-dihydro-5H-1,4-oxathiepine
CID 58183651
(Z)-2-propan-2-yloxy-3-propan-2-ylsulfanylbut-2-ene
CID 59893339
2-Ethoxy-3-propan-2-ylsulfanylprop-1-ene
CID 88234605
2,5,6-Trimethyl-2,3-dihydro-1,4-oxathiine
CID 90397372
3,5,6-Trimethyl-2,3-dihydro-1,4-oxathiine
CID 90397374
2-Methyl-3-(2-methylsulfanylethoxy)but-2-ene
CID 123852086
(Z)-3-ethoxy-1-ethylsulfanylbut-2-ene
CID 12723532
(E)-2-ethoxy-3-ethylsulfanylbut-2-ene
CID 21600410

Frequently Asked Questions

What is the IUPAC name of (E)-2-propan-2-yloxy-3-propan-2-ylsulfanylbut-2-ene?
The IUPAC name of (E)-2-propan-2-yloxy-3-propan-2-ylsulfanylbut-2-ene (CID 20622238) is (E)-2-propan-2-yloxy-3-propan-2-ylsulfanylbut-2-ene.
What is the SMILES notation for (E)-2-propan-2-yloxy-3-propan-2-ylsulfanylbut-2-ene?
The canonical SMILES for (E)-2-propan-2-yloxy-3-propan-2-ylsulfanylbut-2-ene is C/C(OC(C)C)=C(/C)SC(C)C.
What is the InChIKey of (E)-2-propan-2-yloxy-3-propan-2-ylsulfanylbut-2-ene?
The InChIKey is LHHRQJITZIEPJV-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H20OS/c1-7(2)11-9(5)10(6)12-8(3)4/h7-8H,1-6H3/b10-9+.
What are the key properties of (E)-2-propan-2-yloxy-3-propan-2-ylsulfanylbut-2-ene?
(E)-2-propan-2-yloxy-3-propan-2-ylsulfanylbut-2-ene has a molecular weight of 188.34 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-propan-2-yloxy-3-propan-2-ylsulfanylbut-2-ene is sourced from PubChem (CID 20622238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).