3,6-dimethylnona-1,3,5,8-tetraene

C11H16 — CID 90934144

IUPAC3,6-dimethylnona-1,3,5,8-tetraene
SMILESC=CCC(C)=CC=C(C)C=C
InChIInChI=1S/C11H16/c1-5-7-11(4)9-8-10(3)6-2/h5-6,8-9H,1-2,7H2,3-4H3
InChIKeyCCVWMUVMSXUNET-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.64
Rot. Bonds4

About 3,6-dimethylnona-1,3,5,8-tetraene

3,6-dimethylnona-1,3,5,8-tetraene (PubChem CID 90934144) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 3,6-dimethylnona-1,3,5,8-tetraene.

Molecular Properties

Compound Name3,6-dimethylnona-1,3,5,8-tetraene
PubChem CID90934144
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name3,6-dimethylnona-1,3,5,8-tetraene
SMILESC=CCC(C)=CC=C(C)C=C
InChIInChI=1S/C11H16/c1-5-7-11(4)9-8-10(3)6-2/h5-6,8-9H,1-2,7H2,3-4H3
InChIKeyCCVWMUVMSXUNET-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.64
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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Related Compounds

(2E)-3-methylhexa-2,5-dienal
CID 88529058
(Z)-but-2-ene;(3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraene
CID 163402506
ethane;(4E,6Z)-4-methylocta-1,4,6-triene
CID 142893307
4,6-dimethylocta-1,4,6-triene
CID 123877249
(3Z,5E)-3,6-dimethyl-8-propylundeca-1,3,5-triene
CID 169188657
(3Z,5E)-9-fluoro-3,6,9-trimethyldeca-1,3,5-triene
CID 167003915
(3E)-3-methylhexa-1,3,5-triene
CID 5367380
(4E,7E)-4,7-dimethylnona-1,4,7-triene
CID 173333591
(4Z)-6-iodo-4-methylhexa-1,4-diene
CID 89280235
(3Z)-3,6-dimethylhepta-1,3,5-triene;ethane;2-methylprop-1-ene
CID 145084506
(3Z)-4-methylhepta-3,6-dien-1-ol
CID 14691517
(3E,5Z)-3-chloro-6-methylocta-1,3,5,7-tetraene;ethane
CID 143902080

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethylnona-1,3,5,8-tetraene?
The IUPAC name of 3,6-dimethylnona-1,3,5,8-tetraene (CID 90934144) is 3,6-dimethylnona-1,3,5,8-tetraene.
What is the SMILES notation for 3,6-dimethylnona-1,3,5,8-tetraene?
The canonical SMILES for 3,6-dimethylnona-1,3,5,8-tetraene is C=CCC(C)=CC=C(C)C=C.
What is the InChIKey of 3,6-dimethylnona-1,3,5,8-tetraene?
The InChIKey is CCVWMUVMSXUNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-5-7-11(4)9-8-10(3)6-2/h5-6,8-9H,1-2,7H2,3-4H3.
What are the key properties of 3,6-dimethylnona-1,3,5,8-tetraene?
3,6-dimethylnona-1,3,5,8-tetraene has a molecular weight of 148.25 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylnona-1,3,5,8-tetraene is sourced from PubChem (CID 90934144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).