(E)-2-but-1-en-2-ylsulfanyl-3-methylhex-2-ene

C11H20S — CID 137428976

IUPAC(E)-2-but-1-en-2-ylsulfanyl-3-methylhex-2-ene
SMILESC=C(CC)S/C(C)=C(\C)CCC
InChIInChI=1S/C11H20S/c1-6-8-9(3)11(5)12-10(4)7-2/h4,6-8H2,1-3,5H3/b11-9+
InChIKeyOXUHJOXXTVJDHQ-PKNBQFBNSA-N
MW184.35 g/mol
LogP4.74
Rot. Bonds5

About (E)-2-but-1-en-2-ylsulfanyl-3-methylhex-2-ene

(E)-2-but-1-en-2-ylsulfanyl-3-methylhex-2-ene (PubChem CID 137428976) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is (E)-2-but-1-en-2-ylsulfanyl-3-methylhex-2-ene.

Molecular Properties

Compound Name(E)-2-but-1-en-2-ylsulfanyl-3-methylhex-2-ene
PubChem CID137428976
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name(E)-2-but-1-en-2-ylsulfanyl-3-methylhex-2-ene
SMILESC=C(CC)S/C(C)=C(\C)CCC
InChIInChI=1S/C11H20S/c1-6-8-9(3)11(5)12-10(4)7-2/h4,6-8H2,1-3,5H3/b11-9+
InChIKeyOXUHJOXXTVJDHQ-PKNBQFBNSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-2-but-1-en-2-ylsulfanyl-3-methylhex-2-ene?
The IUPAC name of (E)-2-but-1-en-2-ylsulfanyl-3-methylhex-2-ene (CID 137428976) is (E)-2-but-1-en-2-ylsulfanyl-3-methylhex-2-ene.
What is the SMILES notation for (E)-2-but-1-en-2-ylsulfanyl-3-methylhex-2-ene?
The canonical SMILES for (E)-2-but-1-en-2-ylsulfanyl-3-methylhex-2-ene is C=C(CC)S/C(C)=C(\C)CCC.
What is the InChIKey of (E)-2-but-1-en-2-ylsulfanyl-3-methylhex-2-ene?
The InChIKey is OXUHJOXXTVJDHQ-PKNBQFBNSA-N. The full InChI is InChI=1S/C11H20S/c1-6-8-9(3)11(5)12-10(4)7-2/h4,6-8H2,1-3,5H3/b11-9+.
What are the key properties of (E)-2-but-1-en-2-ylsulfanyl-3-methylhex-2-ene?
(E)-2-but-1-en-2-ylsulfanyl-3-methylhex-2-ene has a molecular weight of 184.35 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-but-1-en-2-ylsulfanyl-3-methylhex-2-ene is sourced from PubChem (CID 137428976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).