5,6,7-trimethylnona-1,3,5-triene

C12H20 — CID 123607192

IUPAC5,6,7-trimethylnona-1,3,5-triene
SMILESC=CC=CC(C)=C(C)C(C)CC
InChIInChI=1S/C12H20/c1-6-8-9-11(4)12(5)10(3)7-2/h6,8-10H,1,7H2,2-5H3
InChIKeyDIVFIBVPMJQPFU-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.11
Rot. Bonds4

About 5,6,7-trimethylnona-1,3,5-triene

5,6,7-trimethylnona-1,3,5-triene (PubChem CID 123607192) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 5,6,7-trimethylnona-1,3,5-triene.

Molecular Properties

Compound Name5,6,7-trimethylnona-1,3,5-triene
PubChem CID123607192
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name5,6,7-trimethylnona-1,3,5-triene
SMILESC=CC=CC(C)=C(C)C(C)CC
InChIInChI=1S/C12H20/c1-6-8-9-11(4)12(5)10(3)7-2/h6,8-10H,1,7H2,2-5H3
InChIKeyDIVFIBVPMJQPFU-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.11
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

ethane;(3Z)-6-methyl-5-methylideneocta-1,3-diene;hydroiodide
CID 143199544
(3Z,5Z,6R)-5-ethylidene-6-methyldeca-1,3-diene
CID 144579667
(3Z,5Z)-5-propan-2-ylocta-1,3,5-triene
CID 143760343
ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene
CID 144723819
(5Z)-4-methylideneocta-5,7-dien-3-ol
CID 143759474
(3Z,5Z)-5-methylhepta-1,3,5-triene;propane
CID 142516353
(3Z)-5-ethyl-6-methylhepta-1,3,5-triene
CID 143033929
(6Z,8Z)-8,9,10-trimethyl-5-methylidene-4-(2-methylpropanoyl)dodeca-6,8-dienal
CID 172616805
5-methylocta-1,3,5-triene
CID 123706098
(2E,4Z)-N,3-dimethylhepta-2,4,6-trien-2-amine
CID 134369186
N-ethyl-3-methylidenehepta-4,6-dien-2-imine
CID 123979704
7-methyl-5-methylideneocta-1,3-diene
CID 123347446

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethylnona-1,3,5-triene?
The IUPAC name of 5,6,7-trimethylnona-1,3,5-triene (CID 123607192) is 5,6,7-trimethylnona-1,3,5-triene.
What is the SMILES notation for 5,6,7-trimethylnona-1,3,5-triene?
The canonical SMILES for 5,6,7-trimethylnona-1,3,5-triene is C=CC=CC(C)=C(C)C(C)CC.
What is the InChIKey of 5,6,7-trimethylnona-1,3,5-triene?
The InChIKey is DIVFIBVPMJQPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-6-8-9-11(4)12(5)10(3)7-2/h6,8-10H,1,7H2,2-5H3.
What are the key properties of 5,6,7-trimethylnona-1,3,5-triene?
5,6,7-trimethylnona-1,3,5-triene has a molecular weight of 164.29 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethylnona-1,3,5-triene is sourced from PubChem (CID 123607192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).