(3Z)-3,8-dimethylnona-1,3,7-triene

C11H18 — CID 10931614

IUPAC(3Z)-3,8-dimethylnona-1,3,7-triene
SMILESC=C/C(C)=C\CCC=C(C)C
InChIInChI=1S/C11H18/c1-5-11(4)9-7-6-8-10(2)3/h5,8-9H,1,6-7H2,2-4H3/b11-9-
InChIKeyKKOMDCHXUFZCPD-LUAWRHEFSA-N
MW150.26 g/mol
LogP3.87
Rot. Bonds4

About (3Z)-3,8-dimethylnona-1,3,7-triene

(3Z)-3,8-dimethylnona-1,3,7-triene (PubChem CID 10931614) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is (3Z)-3,8-dimethylnona-1,3,7-triene.

Molecular Properties

Compound Name(3Z)-3,8-dimethylnona-1,3,7-triene
PubChem CID10931614
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name(3Z)-3,8-dimethylnona-1,3,7-triene
SMILESC=C/C(C)=C\CCC=C(C)C
InChIInChI=1S/C11H18/c1-5-11(4)9-7-6-8-10(2)3/h5,8-9H,1,6-7H2,2-4H3/b11-9-
InChIKeyKKOMDCHXUFZCPD-LUAWRHEFSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Lycopene
CID 446925
Myrcene
CID 31253
trans-Alloocimene
CID 5368821
Farnesene
CID 5281516
beta-Ocimene
CID 18756
beta-Farnesene
CID 5281517
beta-Ocimene, (3Z)-
CID 5320250
beta-OCIMENE, (3E)-
CID 5281553
Phytoene
CID 5280784
All-Trans-Phytofluene
CID 6436722
1-Methylcyclohexa-1,3-diene
CID 121731
2,6-Dimethylocta-2,4,6-triene
CID 12658

Frequently Asked Questions

What is the IUPAC name of (3Z)-3,8-dimethylnona-1,3,7-triene?
The IUPAC name of (3Z)-3,8-dimethylnona-1,3,7-triene (CID 10931614) is (3Z)-3,8-dimethylnona-1,3,7-triene.
What is the SMILES notation for (3Z)-3,8-dimethylnona-1,3,7-triene?
The canonical SMILES for (3Z)-3,8-dimethylnona-1,3,7-triene is C=C/C(C)=C\CCC=C(C)C.
What is the InChIKey of (3Z)-3,8-dimethylnona-1,3,7-triene?
The InChIKey is KKOMDCHXUFZCPD-LUAWRHEFSA-N. The full InChI is InChI=1S/C11H18/c1-5-11(4)9-7-6-8-10(2)3/h5,8-9H,1,6-7H2,2-4H3/b11-9-.
What are the key properties of (3Z)-3,8-dimethylnona-1,3,7-triene?
(3Z)-3,8-dimethylnona-1,3,7-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 (3Z)-3,8-dimethylnona-1,3,7-triene is sourced from PubChem (CID 10931614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).