4-ethylidene-6,7-dimethylnona-1,6-diene

C13H22 — CID 54551976

IUPAC4-ethylidene-6,7-dimethylnona-1,6-diene
SMILESC=CCC(=CC)CC(C)=C(C)CC
InChIInChI=1S/C13H22/c1-6-9-13(8-3)10-12(5)11(4)7-2/h6,8H,1,7,9-10H2,2-5H3
InChIKeyZKNNSVGJXBRHRN-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.65
Rot. Bonds5

About 4-ethylidene-6,7-dimethylnona-1,6-diene

4-ethylidene-6,7-dimethylnona-1,6-diene (PubChem CID 54551976) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 4-ethylidene-6,7-dimethylnona-1,6-diene.

Molecular Properties

Compound Name4-ethylidene-6,7-dimethylnona-1,6-diene
PubChem CID54551976
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name4-ethylidene-6,7-dimethylnona-1,6-diene
SMILESC=CCC(=CC)CC(C)=C(C)CC
InChIInChI=1S/C13H22/c1-6-9-13(8-3)10-12(5)11(4)7-2/h6,8H,1,7,9-10H2,2-5H3
InChIKeyZKNNSVGJXBRHRN-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.65
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 4-ethylidene-6,7-dimethylnona-1,6-diene?
The IUPAC name of 4-ethylidene-6,7-dimethylnona-1,6-diene (CID 54551976) is 4-ethylidene-6,7-dimethylnona-1,6-diene.
What is the SMILES notation for 4-ethylidene-6,7-dimethylnona-1,6-diene?
The canonical SMILES for 4-ethylidene-6,7-dimethylnona-1,6-diene is C=CCC(=CC)CC(C)=C(C)CC.
What is the InChIKey of 4-ethylidene-6,7-dimethylnona-1,6-diene?
The InChIKey is ZKNNSVGJXBRHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-6-9-13(8-3)10-12(5)11(4)7-2/h6,8H,1,7,9-10H2,2-5H3.
What are the key properties of 4-ethylidene-6,7-dimethylnona-1,6-diene?
4-ethylidene-6,7-dimethylnona-1,6-diene has a molecular weight of 178.32 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-6,7-dimethylnona-1,6-diene is sourced from PubChem (CID 54551976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).