(4E,7E)-5,6,7-trimethylnona-1,4,7-triene

C12H20 — CID 20695263

IUPAC(4E,7E)-5,6,7-trimethylnona-1,4,7-triene
SMILESC=CC/C=C(\C)C(C)/C(C)=C/C
InChIInChI=1S/C12H20/c1-6-8-9-11(4)12(5)10(3)7-2/h6-7,9,12H,1,8H2,2-5H3/b10-7+,11-9+
InChIKeyDCLKCNBRUUEJOH-PPZOTWNKSA-N
MW164.29 g/mol
LogP4.11
Rot. Bonds4

About (4E,7E)-5,6,7-trimethylnona-1,4,7-triene

(4E,7E)-5,6,7-trimethylnona-1,4,7-triene (PubChem CID 20695263) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (4E,7E)-5,6,7-trimethylnona-1,4,7-triene.

Molecular Properties

Compound Name(4E,7E)-5,6,7-trimethylnona-1,4,7-triene
PubChem CID20695263
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(4E,7E)-5,6,7-trimethylnona-1,4,7-triene
SMILESC=CC/C=C(\C)C(C)/C(C)=C/C
InChIInChI=1S/C12H20/c1-6-8-9-11(4)12(5)10(3)7-2/h6-7,9,12H,1,8H2,2-5H3/b10-7+,11-9+
InChIKeyDCLKCNBRUUEJOH-PPZOTWNKSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E,7E)-5,6,7-trimethylnona-1,4,7-triene?
The IUPAC name of (4E,7E)-5,6,7-trimethylnona-1,4,7-triene (CID 20695263) is (4E,7E)-5,6,7-trimethylnona-1,4,7-triene.
What is the SMILES notation for (4E,7E)-5,6,7-trimethylnona-1,4,7-triene?
The canonical SMILES for (4E,7E)-5,6,7-trimethylnona-1,4,7-triene is C=CC/C=C(\C)C(C)/C(C)=C/C.
What is the InChIKey of (4E,7E)-5,6,7-trimethylnona-1,4,7-triene?
The InChIKey is DCLKCNBRUUEJOH-PPZOTWNKSA-N. The full InChI is InChI=1S/C12H20/c1-6-8-9-11(4)12(5)10(3)7-2/h6-7,9,12H,1,8H2,2-5H3/b10-7+,11-9+.
What are the key properties of (4E,7E)-5,6,7-trimethylnona-1,4,7-triene?
(4E,7E)-5,6,7-trimethylnona-1,4,7-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 (4E,7E)-5,6,7-trimethylnona-1,4,7-triene is sourced from PubChem (CID 20695263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).