(4E,7E)-4,7-dimethylnona-1,4,7-triene

C11H18 — CID 173333591

IUPAC(4E,7E)-4,7-dimethylnona-1,4,7-triene
SMILESC=CC/C(C)=C/C/C(C)=C/C
InChIInChI=1S/C11H18/c1-5-7-11(4)9-8-10(3)6-2/h5-6,9H,1,7-8H2,2-4H3/b10-6+,11-9+
InChIKeyLNGOFHRDJGQQCT-BBYAVRKXSA-N
MW150.26 g/mol
LogP3.87
Rot. Bonds4

About (4E,7E)-4,7-dimethylnona-1,4,7-triene

(4E,7E)-4,7-dimethylnona-1,4,7-triene (PubChem CID 173333591) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is (4E,7E)-4,7-dimethylnona-1,4,7-triene.

Molecular Properties

Compound Name(4E,7E)-4,7-dimethylnona-1,4,7-triene
PubChem CID173333591
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name(4E,7E)-4,7-dimethylnona-1,4,7-triene
SMILESC=CC/C(C)=C/C/C(C)=C/C
InChIInChI=1S/C11H18/c1-5-7-11(4)9-8-10(3)6-2/h5-6,9H,1,7-8H2,2-4H3/b10-6+,11-9+
InChIKeyLNGOFHRDJGQQCT-BBYAVRKXSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.87
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

(3Z)-4-methylhepta-3,6-dienoic acid
CID 14197243
(5E)-2,5-dimethylhepta-2,5-diene
CID 12688397
(4Z)-6-iodo-4-methylhexa-1,4-diene
CID 89280235
4,6-dimethylocta-1,4,6-triene
CID 123877249
(3Z)-4-methylhepta-3,6-dien-1-ol
CID 14691517
hex-1-ene;(4E)-4-methylhexa-1,4-diene;5-methylhexa-1,4-diene
CID 6449801
(4E,8E)-4,5,8-trimethyldeca-1,4,8-triene
CID 20598416
ethane;(4E,6Z)-4-methylocta-1,4,6-triene
CID 142893307
5-methylnona-1,4,7-triene
CID 59970949
(2E)-3-methylhexa-2,5-dienal
CID 88529058
(5E)-3,6,7-trimethylocta-2,5-diene
CID 91463486
6-methyldeca-1,5,8-triene
CID 150645087

Frequently Asked Questions

What is the IUPAC name of (4E,7E)-4,7-dimethylnona-1,4,7-triene?
The IUPAC name of (4E,7E)-4,7-dimethylnona-1,4,7-triene (CID 173333591) is (4E,7E)-4,7-dimethylnona-1,4,7-triene.
What is the SMILES notation for (4E,7E)-4,7-dimethylnona-1,4,7-triene?
The canonical SMILES for (4E,7E)-4,7-dimethylnona-1,4,7-triene is C=CC/C(C)=C/C/C(C)=C/C.
What is the InChIKey of (4E,7E)-4,7-dimethylnona-1,4,7-triene?
The InChIKey is LNGOFHRDJGQQCT-BBYAVRKXSA-N. The full InChI is InChI=1S/C11H18/c1-5-7-11(4)9-8-10(3)6-2/h5-6,9H,1,7-8H2,2-4H3/b10-6+,11-9+.
What are the key properties of (4E,7E)-4,7-dimethylnona-1,4,7-triene?
(4E,7E)-4,7-dimethylnona-1,4,7-triene has a molecular weight of 150.26 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,7E)-4,7-dimethylnona-1,4,7-triene is sourced from PubChem (CID 173333591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).