(2E,6Z)-2,3,7-tribromonona-2,6-diene

C9H13Br3 — CID 131969876

IUPAC(2E,6Z)-2,3,7-tribromonona-2,6-diene
SMILESCC/C(Br)=C/CC/C(Br)=C(/C)Br
InChIInChI=1S/C9H13Br3/c1-3-8(11)5-4-6-9(12)7(2)10/h5H,3-4,6H2,1-2H3/b8-5-,9-7+
InChIKeyAPVPANDAZYOIBY-ANVCMGODSA-N
MW360.92 g/mol
LogP5.48
Rot. Bonds4

About (2E,6Z)-2,3,7-tribromonona-2,6-diene

(2E,6Z)-2,3,7-tribromonona-2,6-diene (PubChem CID 131969876) has the molecular formula C9H13Br3 and a molecular weight of 360.92 g/mol. Its IUPAC name is (2E,6Z)-2,3,7-tribromonona-2,6-diene.

Molecular Properties

Compound Name(2E,6Z)-2,3,7-tribromonona-2,6-diene
PubChem CID131969876
Molecular FormulaC9H13Br3
Molecular Weight360.92 g/mol
Exact Mass357.86
IUPAC Name(2E,6Z)-2,3,7-tribromonona-2,6-diene
SMILESCC/C(Br)=C/CC/C(Br)=C(/C)Br
InChIInChI=1S/C9H13Br3/c1-3-8(11)5-4-6-9(12)7(2)10/h5H,3-4,6H2,1-2H3/b8-5-,9-7+
InChIKeyAPVPANDAZYOIBY-ANVCMGODSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.92
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2E,6Z)-2,3,7-tribromonona-2,6-diene?
The IUPAC name of (2E,6Z)-2,3,7-tribromonona-2,6-diene (CID 131969876) is (2E,6Z)-2,3,7-tribromonona-2,6-diene.
What is the SMILES notation for (2E,6Z)-2,3,7-tribromonona-2,6-diene?
The canonical SMILES for (2E,6Z)-2,3,7-tribromonona-2,6-diene is CC/C(Br)=C/CC/C(Br)=C(/C)Br.
What is the InChIKey of (2E,6Z)-2,3,7-tribromonona-2,6-diene?
The InChIKey is APVPANDAZYOIBY-ANVCMGODSA-N. The full InChI is InChI=1S/C9H13Br3/c1-3-8(11)5-4-6-9(12)7(2)10/h5H,3-4,6H2,1-2H3/b8-5-,9-7+.
What are the key properties of (2E,6Z)-2,3,7-tribromonona-2,6-diene?
(2E,6Z)-2,3,7-tribromonona-2,6-diene has a molecular weight of 360.92 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z)-2,3,7-tribromonona-2,6-diene is sourced from PubChem (CID 131969876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).