8-ethyl-7-methylundeca-3,4,7-triene

C14H24 — CID 90830873

IUPAC8-ethyl-7-methylundeca-3,4,7-triene
SMILESCCC=C=CCC(C)=C(CC)CCC
InChIInChI=1S/C14H24/c1-5-8-9-10-12-13(4)14(7-3)11-6-2/h8,10H,5-7,11-12H2,1-4H3
InChIKeyXXCWSWCOYZMEMU-UHFFFAOYSA-N
MW192.35 g/mol
LogP5.02
Rot. Bonds6

About 8-ethyl-7-methylundeca-3,4,7-triene

8-ethyl-7-methylundeca-3,4,7-triene (PubChem CID 90830873) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 8-ethyl-7-methylundeca-3,4,7-triene.

Molecular Properties

Compound Name8-ethyl-7-methylundeca-3,4,7-triene
PubChem CID90830873
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name8-ethyl-7-methylundeca-3,4,7-triene
SMILESCCC=C=CCC(C)=C(CC)CCC
InChIInChI=1S/C14H24/c1-5-8-9-10-12-13(4)14(7-3)11-6-2/h8,10H,5-7,11-12H2,1-4H3
InChIKeyXXCWSWCOYZMEMU-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500192.35
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 8-ethyl-7-methylundeca-3,4,7-triene?
The IUPAC name of 8-ethyl-7-methylundeca-3,4,7-triene (CID 90830873) is 8-ethyl-7-methylundeca-3,4,7-triene.
What is the SMILES notation for 8-ethyl-7-methylundeca-3,4,7-triene?
The canonical SMILES for 8-ethyl-7-methylundeca-3,4,7-triene is CCC=C=CCC(C)=C(CC)CCC.
What is the InChIKey of 8-ethyl-7-methylundeca-3,4,7-triene?
The InChIKey is XXCWSWCOYZMEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-5-8-9-10-12-13(4)14(7-3)11-6-2/h8,10H,5-7,11-12H2,1-4H3.
What are the key properties of 8-ethyl-7-methylundeca-3,4,7-triene?
8-ethyl-7-methylundeca-3,4,7-triene has a molecular weight of 192.35 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-7-methylundeca-3,4,7-triene is sourced from PubChem (CID 90830873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).