(Z)-5-methyl-1-(2-methylpropylsulfanyl)hex-2-ene

C11H22S — CID 59855703

IUPAC(Z)-5-methyl-1-(2-methylpropylsulfanyl)hex-2-ene
SMILESCC(C)C/C=C\CSCC(C)C
InChIInChI=1S/C11H22S/c1-10(2)7-5-6-8-12-9-11(3)4/h5-6,10-11H,7-9H2,1-4H3/b6-5-
InChIKeyFBIWEAVYANMXQD-WAYWQWQTSA-N
MW186.36 g/mol
LogP3.98
Rot. Bonds6

About (Z)-5-methyl-1-(2-methylpropylsulfanyl)hex-2-ene

(Z)-5-methyl-1-(2-methylpropylsulfanyl)hex-2-ene (PubChem CID 59855703) has the molecular formula C11H22S and a molecular weight of 186.36 g/mol. Its IUPAC name is (Z)-5-methyl-1-(2-methylpropylsulfanyl)hex-2-ene.

Molecular Properties

Compound Name(Z)-5-methyl-1-(2-methylpropylsulfanyl)hex-2-ene
PubChem CID59855703
Molecular FormulaC11H22S
Molecular Weight186.36 g/mol
Exact Mass186.14
IUPAC Name(Z)-5-methyl-1-(2-methylpropylsulfanyl)hex-2-ene
SMILESCC(C)C/C=C\CSCC(C)C
InChIInChI=1S/C11H22S/c1-10(2)7-5-6-8-12-9-11(3)4/h5-6,10-11H,7-9H2,1-4H3/b6-5-
InChIKeyFBIWEAVYANMXQD-WAYWQWQTSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-methyl-1-(2-methylpropylsulfanyl)hex-2-ene?
The IUPAC name of (Z)-5-methyl-1-(2-methylpropylsulfanyl)hex-2-ene (CID 59855703) is (Z)-5-methyl-1-(2-methylpropylsulfanyl)hex-2-ene.
What is the SMILES notation for (Z)-5-methyl-1-(2-methylpropylsulfanyl)hex-2-ene?
The canonical SMILES for (Z)-5-methyl-1-(2-methylpropylsulfanyl)hex-2-ene is CC(C)C/C=C\CSCC(C)C.
What is the InChIKey of (Z)-5-methyl-1-(2-methylpropylsulfanyl)hex-2-ene?
The InChIKey is FBIWEAVYANMXQD-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H22S/c1-10(2)7-5-6-8-12-9-11(3)4/h5-6,10-11H,7-9H2,1-4H3/b6-5-.
What are the key properties of (Z)-5-methyl-1-(2-methylpropylsulfanyl)hex-2-ene?
(Z)-5-methyl-1-(2-methylpropylsulfanyl)hex-2-ene has a molecular weight of 186.36 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methyl-1-(2-methylpropylsulfanyl)hex-2-ene is sourced from PubChem (CID 59855703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).