(E)-2-methyl-1-[(E)-2-methylbut-2-enyl]sulfanylbut-2-ene

C10H18S — CID 19352987

IUPAC(E)-2-methyl-1-[(E)-2-methylbut-2-enyl]sulfanylbut-2-ene
SMILESC/C=C(\C)CSC/C(C)=C/C
InChIInChI=1S/C10H18S/c1-5-9(3)7-11-8-10(4)6-2/h5-6H,7-8H2,1-4H3/b9-5+,10-6+
InChIKeyOSYLYHAYYGKWGS-NXZHAISVSA-N
MW170.32 g/mol
LogP3.65
Rot. Bonds4

About (E)-2-methyl-1-[(E)-2-methylbut-2-enyl]sulfanylbut-2-ene

(E)-2-methyl-1-[(E)-2-methylbut-2-enyl]sulfanylbut-2-ene (PubChem CID 19352987) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is (E)-2-methyl-1-[(E)-2-methylbut-2-enyl]sulfanylbut-2-ene.

Molecular Properties

Compound Name(E)-2-methyl-1-[(E)-2-methylbut-2-enyl]sulfanylbut-2-ene
PubChem CID19352987
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name(E)-2-methyl-1-[(E)-2-methylbut-2-enyl]sulfanylbut-2-ene
SMILESC/C=C(\C)CSC/C(C)=C/C
InChIInChI=1S/C10H18S/c1-5-9(3)7-11-8-10(4)6-2/h5-6H,7-8H2,1-4H3/b9-5+,10-6+
InChIKeyOSYLYHAYYGKWGS-NXZHAISVSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-1-[(E)-2-methylbut-2-enyl]sulfanylbut-2-ene?
The IUPAC name of (E)-2-methyl-1-[(E)-2-methylbut-2-enyl]sulfanylbut-2-ene (CID 19352987) is (E)-2-methyl-1-[(E)-2-methylbut-2-enyl]sulfanylbut-2-ene.
What is the SMILES notation for (E)-2-methyl-1-[(E)-2-methylbut-2-enyl]sulfanylbut-2-ene?
The canonical SMILES for (E)-2-methyl-1-[(E)-2-methylbut-2-enyl]sulfanylbut-2-ene is C/C=C(\C)CSC/C(C)=C/C.
What is the InChIKey of (E)-2-methyl-1-[(E)-2-methylbut-2-enyl]sulfanylbut-2-ene?
The InChIKey is OSYLYHAYYGKWGS-NXZHAISVSA-N. The full InChI is InChI=1S/C10H18S/c1-5-9(3)7-11-8-10(4)6-2/h5-6H,7-8H2,1-4H3/b9-5+,10-6+.
What are the key properties of (E)-2-methyl-1-[(E)-2-methylbut-2-enyl]sulfanylbut-2-ene?
(E)-2-methyl-1-[(E)-2-methylbut-2-enyl]sulfanylbut-2-ene has a molecular weight of 170.32 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-1-[(E)-2-methylbut-2-enyl]sulfanylbut-2-ene is sourced from PubChem (CID 19352987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).