(Z)-5-methyl-4-methylidene-1-methylsulfanylhex-1-ene

C9H16S — CID 58219028

IUPAC(Z)-5-methyl-4-methylidene-1-methylsulfanylhex-1-ene
SMILESC=C(C/C=C\SC)C(C)C
InChIInChI=1S/C9H16S/c1-8(2)9(3)6-5-7-10-4/h5,7-8H,3,6H2,1-2,4H3/b7-5-
InChIKeyODMIEJJXNBUGHU-ALCCZGGFSA-N
MW156.29 g/mol
LogP3.47
Rot. Bonds4

About (Z)-5-methyl-4-methylidene-1-methylsulfanylhex-1-ene

(Z)-5-methyl-4-methylidene-1-methylsulfanylhex-1-ene (PubChem CID 58219028) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is (Z)-5-methyl-4-methylidene-1-methylsulfanylhex-1-ene.

Molecular Properties

Compound Name(Z)-5-methyl-4-methylidene-1-methylsulfanylhex-1-ene
PubChem CID58219028
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name(Z)-5-methyl-4-methylidene-1-methylsulfanylhex-1-ene
SMILESC=C(C/C=C\SC)C(C)C
InChIInChI=1S/C9H16S/c1-8(2)9(3)6-5-7-10-4/h5,7-8H,3,6H2,1-2,4H3/b7-5-
InChIKeyODMIEJJXNBUGHU-ALCCZGGFSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 53.47
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 (Z)-5-methyl-4-methylidene-1-methylsulfanylhex-1-ene?
The IUPAC name of (Z)-5-methyl-4-methylidene-1-methylsulfanylhex-1-ene (CID 58219028) is (Z)-5-methyl-4-methylidene-1-methylsulfanylhex-1-ene.
What is the SMILES notation for (Z)-5-methyl-4-methylidene-1-methylsulfanylhex-1-ene?
The canonical SMILES for (Z)-5-methyl-4-methylidene-1-methylsulfanylhex-1-ene is C=C(C/C=C\SC)C(C)C.
What is the InChIKey of (Z)-5-methyl-4-methylidene-1-methylsulfanylhex-1-ene?
The InChIKey is ODMIEJJXNBUGHU-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H16S/c1-8(2)9(3)6-5-7-10-4/h5,7-8H,3,6H2,1-2,4H3/b7-5-.
What are the key properties of (Z)-5-methyl-4-methylidene-1-methylsulfanylhex-1-ene?
(Z)-5-methyl-4-methylidene-1-methylsulfanylhex-1-ene has a molecular weight of 156.29 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methyl-4-methylidene-1-methylsulfanylhex-1-ene is sourced from PubChem (CID 58219028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).