3,7-dimethylnona-1,3,5,7-tetraene

C11H16 — CID 54076671

IUPAC3,7-dimethylnona-1,3,5,7-tetraene
SMILESC=CC(C)=CC=CC(C)=CC
InChIInChI=1S/C11H16/c1-5-10(3)8-7-9-11(4)6-2/h5-9H,1H2,2-4H3
InChIKeyVSNLEPGWFLVFAU-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.64
Rot. Bonds3

About 3,7-dimethylnona-1,3,5,7-tetraene

3,7-dimethylnona-1,3,5,7-tetraene (PubChem CID 54076671) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 3,7-dimethylnona-1,3,5,7-tetraene.

Molecular Properties

Compound Name3,7-dimethylnona-1,3,5,7-tetraene
PubChem CID54076671
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name3,7-dimethylnona-1,3,5,7-tetraene
SMILESC=CC(C)=CC=CC(C)=CC
InChIInChI=1S/C11H16/c1-5-10(3)8-7-9-11(4)6-2/h5-9H,1H2,2-4H3
InChIKeyVSNLEPGWFLVFAU-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methane;(3E,5Z,7Z)-3-methylnona-1,3,5,7-tetraene
CID 144724119
(Z)-but-2-ene;(3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraene
CID 163402506
(1E,3Z)-1-chloro-4-methylhexa-1,3,5-triene
CID 87415346
(3Z,5E)-6-methyl-2-methylideneocta-3,5,7-trien-1-amine
CID 143819016
(5E,7E,9E)-5,9-dimethylundeca-1,5,7,9-tetraene
CID 154709429
(3Z,5Z)-5-methylhepta-1,3,5-triene;propane
CID 142516353
tert-butyl 3,7-dimethylnona-2,4,6,8-tetraenoate
CID 142695842
(3E)-3-methylhexa-1,3,5-triene
CID 5367380
(3Z,5E)-7,7,7-trifluoro-3-methylhepta-1,3,5-triene
CID 89192283
(3Z,5E)-3,7-dimethylocta-1,3,5-triene
CID 6436632
ethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene
CID 143014542
N-[(2E)-6-methylocta-2,4,6-trien-2-yl]ethanimine
CID 91116659

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethylnona-1,3,5,7-tetraene?
The IUPAC name of 3,7-dimethylnona-1,3,5,7-tetraene (CID 54076671) is 3,7-dimethylnona-1,3,5,7-tetraene.
What is the SMILES notation for 3,7-dimethylnona-1,3,5,7-tetraene?
The canonical SMILES for 3,7-dimethylnona-1,3,5,7-tetraene is C=CC(C)=CC=CC(C)=CC.
What is the InChIKey of 3,7-dimethylnona-1,3,5,7-tetraene?
The InChIKey is VSNLEPGWFLVFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-5-10(3)8-7-9-11(4)6-2/h5-9H,1H2,2-4H3.
What are the key properties of 3,7-dimethylnona-1,3,5,7-tetraene?
3,7-dimethylnona-1,3,5,7-tetraene has a molecular weight of 148.25 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethylnona-1,3,5,7-tetraene is sourced from PubChem (CID 54076671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).