7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene

C17H28 — CID 72738900

IUPAC7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene
SMILESC=CC(C)=CCC=C(CC)CCC=C(C)CC
InChIInChI=1S/C17H28/c1-6-15(4)11-9-13-17(8-3)14-10-12-16(5)7-2/h6,11-13H,1,7-10,14H2,2-5H3
InChIKeyDSFNZXRWOVOIGV-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.98
Rot. Bonds8

About 7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene

7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene (PubChem CID 72738900) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene.

Molecular Properties

Compound Name7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene
PubChem CID72738900
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene
SMILESC=CC(C)=CCC=C(CC)CCC=C(C)CC
InChIInChI=1S/C17H28/c1-6-15(4)11-9-13-17(8-3)14-10-12-16(5)7-2/h6,11-13H,1,7-10,14H2,2-5H3
InChIKeyDSFNZXRWOVOIGV-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene?
The IUPAC name of 7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene (CID 72738900) is 7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene.
What is the SMILES notation for 7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene?
The canonical SMILES for 7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene is C=CC(C)=CCC=C(CC)CCC=C(C)CC.
What is the InChIKey of 7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene?
The InChIKey is DSFNZXRWOVOIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-6-15(4)11-9-13-17(8-3)14-10-12-16(5)7-2/h6,11-13H,1,7-10,14H2,2-5H3.
What are the key properties of 7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene?
7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene has a molecular weight of 232.41 g/mol, XLogP of 5.98, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene is sourced from PubChem (CID 72738900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).