5-methyl-6,8-dimethylidenedeca-1,2-diene

C13H20 — CID 173443886

IUPAC5-methyl-6,8-dimethylidenedeca-1,2-diene
SMILESC=C=CCC(C)C(=C)CC(=C)CC
InChIInChI=1S/C13H20/c1-6-8-9-12(4)13(5)10-11(3)7-2/h8,12H,1,3,5,7,9-10H2,2,4H3
InChIKeyNAGFFDMBKXYYRN-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.27
Rot. Bonds6

About 5-methyl-6,8-dimethylidenedeca-1,2-diene

5-methyl-6,8-dimethylidenedeca-1,2-diene (PubChem CID 173443886) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 5-methyl-6,8-dimethylidenedeca-1,2-diene.

Molecular Properties

Compound Name5-methyl-6,8-dimethylidenedeca-1,2-diene
PubChem CID173443886
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name5-methyl-6,8-dimethylidenedeca-1,2-diene
SMILESC=C=CCC(C)C(=C)CC(=C)CC
InChIInChI=1S/C13H20/c1-6-8-9-12(4)13(5)10-11(3)7-2/h8,12H,1,3,5,7,9-10H2,2,4H3
InChIKeyNAGFFDMBKXYYRN-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6,8-dimethylidenedeca-1,2-diene?
The IUPAC name of 5-methyl-6,8-dimethylidenedeca-1,2-diene (CID 173443886) is 5-methyl-6,8-dimethylidenedeca-1,2-diene.
What is the SMILES notation for 5-methyl-6,8-dimethylidenedeca-1,2-diene?
The canonical SMILES for 5-methyl-6,8-dimethylidenedeca-1,2-diene is C=C=CCC(C)C(=C)CC(=C)CC.
What is the InChIKey of 5-methyl-6,8-dimethylidenedeca-1,2-diene?
The InChIKey is NAGFFDMBKXYYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-6-8-9-12(4)13(5)10-11(3)7-2/h8,12H,1,3,5,7,9-10H2,2,4H3.
What are the key properties of 5-methyl-6,8-dimethylidenedeca-1,2-diene?
5-methyl-6,8-dimethylidenedeca-1,2-diene has a molecular weight of 176.30 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6,8-dimethylidenedeca-1,2-diene is sourced from PubChem (CID 173443886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).