5-methylidene-2-methylsulfanyl-4-propan-2-yloct-1-ene

C13H24S — CID 130432201

IUPAC5-methylidene-2-methylsulfanyl-4-propan-2-yloct-1-ene
SMILESC=C(CC(C(=C)CCC)C(C)C)SC
InChIInChI=1S/C13H24S/c1-7-8-11(4)13(10(2)3)9-12(5)14-6/h10,13H,4-5,7-9H2,1-3,6H3
InChIKeyQQLQQEOBCLXWSV-UHFFFAOYSA-N
MW212.40 g/mol
LogP4.88
Rot. Bonds7

About 5-methylidene-2-methylsulfanyl-4-propan-2-yloct-1-ene

5-methylidene-2-methylsulfanyl-4-propan-2-yloct-1-ene (PubChem CID 130432201) has the molecular formula C13H24S and a molecular weight of 212.40 g/mol. Its IUPAC name is 5-methylidene-2-methylsulfanyl-4-propan-2-yloct-1-ene.

Molecular Properties

Compound Name5-methylidene-2-methylsulfanyl-4-propan-2-yloct-1-ene
PubChem CID130432201
Molecular FormulaC13H24S
Molecular Weight212.40 g/mol
Exact Mass212.16
IUPAC Name5-methylidene-2-methylsulfanyl-4-propan-2-yloct-1-ene
SMILESC=C(CC(C(=C)CCC)C(C)C)SC
InChIInChI=1S/C13H24S/c1-7-8-11(4)13(10(2)3)9-12(5)14-6/h10,13H,4-5,7-9H2,1-3,6H3
InChIKeyQQLQQEOBCLXWSV-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.40
LogP ≤ 54.88
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 5-methylidene-2-methylsulfanyl-4-propan-2-yloct-1-ene?
The IUPAC name of 5-methylidene-2-methylsulfanyl-4-propan-2-yloct-1-ene (CID 130432201) is 5-methylidene-2-methylsulfanyl-4-propan-2-yloct-1-ene.
What is the SMILES notation for 5-methylidene-2-methylsulfanyl-4-propan-2-yloct-1-ene?
The canonical SMILES for 5-methylidene-2-methylsulfanyl-4-propan-2-yloct-1-ene is C=C(CC(C(=C)CCC)C(C)C)SC.
What is the InChIKey of 5-methylidene-2-methylsulfanyl-4-propan-2-yloct-1-ene?
The InChIKey is QQLQQEOBCLXWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24S/c1-7-8-11(4)13(10(2)3)9-12(5)14-6/h10,13H,4-5,7-9H2,1-3,6H3.
What are the key properties of 5-methylidene-2-methylsulfanyl-4-propan-2-yloct-1-ene?
5-methylidene-2-methylsulfanyl-4-propan-2-yloct-1-ene has a molecular weight of 212.40 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-2-methylsulfanyl-4-propan-2-yloct-1-ene is sourced from PubChem (CID 130432201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).