2,5,5,8-tetramethylnona-2,7-diene

C13H24 — CID 101493299

IUPAC2,5,5,8-tetramethylnona-2,7-diene
SMILESCC(C)=CCC(C)(C)CC=C(C)C
InChIInChI=1S/C13H24/c1-11(2)7-9-13(5,6)10-8-12(3)4/h7-8H,9-10H2,1-6H3
InChIKeyRADCPUXYWMKHOK-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.73
Rot. Bonds4

About 2,5,5,8-tetramethylnona-2,7-diene

2,5,5,8-tetramethylnona-2,7-diene (PubChem CID 101493299) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 2,5,5,8-tetramethylnona-2,7-diene.

Molecular Properties

Compound Name2,5,5,8-tetramethylnona-2,7-diene
PubChem CID101493299
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name2,5,5,8-tetramethylnona-2,7-diene
SMILESCC(C)=CCC(C)(C)CC=C(C)C
InChIInChI=1S/C13H24/c1-11(2)7-9-13(5,6)10-8-12(3)4/h7-8H,9-10H2,1-6H3
InChIKeyRADCPUXYWMKHOK-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.73
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 2,5,5,8-tetramethylnona-2,7-diene?
The IUPAC name of 2,5,5,8-tetramethylnona-2,7-diene (CID 101493299) is 2,5,5,8-tetramethylnona-2,7-diene.
What is the SMILES notation for 2,5,5,8-tetramethylnona-2,7-diene?
The canonical SMILES for 2,5,5,8-tetramethylnona-2,7-diene is CC(C)=CCC(C)(C)CC=C(C)C.
What is the InChIKey of 2,5,5,8-tetramethylnona-2,7-diene?
The InChIKey is RADCPUXYWMKHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-11(2)7-9-13(5,6)10-8-12(3)4/h7-8H,9-10H2,1-6H3.
What are the key properties of 2,5,5,8-tetramethylnona-2,7-diene?
2,5,5,8-tetramethylnona-2,7-diene has a molecular weight of 180.33 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5,8-tetramethylnona-2,7-diene is sourced from PubChem (CID 101493299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).