5-(ethylsulfanylmethylidene)-6-methylhept-3-ene

C11H20S — CID 123525677

IUPAC5-(ethylsulfanylmethylidene)-6-methylhept-3-ene
SMILESCCC=CC(=CSCC)C(C)C
InChIInChI=1S/C11H20S/c1-5-7-8-11(10(3)4)9-12-6-2/h7-10H,5-6H2,1-4H3
InChIKeyYLLVJKLHTCPQQZ-UHFFFAOYSA-N
MW184.35 g/mol
LogP4.25
Rot. Bonds5

About 5-(ethylsulfanylmethylidene)-6-methylhept-3-ene

5-(ethylsulfanylmethylidene)-6-methylhept-3-ene (PubChem CID 123525677) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is 5-(ethylsulfanylmethylidene)-6-methylhept-3-ene.

Molecular Properties

Compound Name5-(ethylsulfanylmethylidene)-6-methylhept-3-ene
PubChem CID123525677
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name5-(ethylsulfanylmethylidene)-6-methylhept-3-ene
SMILESCCC=CC(=CSCC)C(C)C
InChIInChI=1S/C11H20S/c1-5-7-8-11(10(3)4)9-12-6-2/h7-10H,5-6H2,1-4H3
InChIKeyYLLVJKLHTCPQQZ-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfanylmethylidene)-6-methylhept-3-ene?
The IUPAC name of 5-(ethylsulfanylmethylidene)-6-methylhept-3-ene (CID 123525677) is 5-(ethylsulfanylmethylidene)-6-methylhept-3-ene.
What is the SMILES notation for 5-(ethylsulfanylmethylidene)-6-methylhept-3-ene?
The canonical SMILES for 5-(ethylsulfanylmethylidene)-6-methylhept-3-ene is CCC=CC(=CSCC)C(C)C.
What is the InChIKey of 5-(ethylsulfanylmethylidene)-6-methylhept-3-ene?
The InChIKey is YLLVJKLHTCPQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S/c1-5-7-8-11(10(3)4)9-12-6-2/h7-10H,5-6H2,1-4H3.
What are the key properties of 5-(ethylsulfanylmethylidene)-6-methylhept-3-ene?
5-(ethylsulfanylmethylidene)-6-methylhept-3-ene has a molecular weight of 184.35 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfanylmethylidene)-6-methylhept-3-ene is sourced from PubChem (CID 123525677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).