(6E)-9-bromonona-1,6-dien-3-ol

C9H15BrO — CID 10489037

IUPAC(6E)-9-bromonona-1,6-dien-3-ol
SMILESC=CC(O)CC/C=C/CCBr
InChIInChI=1S/C9H15BrO/c1-2-9(11)7-5-3-4-6-8-10/h2-4,9,11H,1,5-8H2/b4-3+
InChIKeyIYGUWEFLZVJKPC-ONEGZZNKSA-N
MW219.12 g/mol
LogP2.65
Rot. Bonds6

About (6E)-9-bromonona-1,6-dien-3-ol

(6E)-9-bromonona-1,6-dien-3-ol (PubChem CID 10489037) has the molecular formula C9H15BrO and a molecular weight of 219.12 g/mol. Its IUPAC name is (6E)-9-bromonona-1,6-dien-3-ol.

Molecular Properties

Compound Name(6E)-9-bromonona-1,6-dien-3-ol
PubChem CID10489037
Molecular FormulaC9H15BrO
Molecular Weight219.12 g/mol
Exact Mass218.03
IUPAC Name(6E)-9-bromonona-1,6-dien-3-ol
SMILESC=CC(O)CC/C=C/CCBr
InChIInChI=1S/C9H15BrO/c1-2-9(11)7-5-3-4-6-8-10/h2-4,9,11H,1,5-8H2/b4-3+
InChIKeyIYGUWEFLZVJKPC-ONEGZZNKSA-N
XLogP2.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.12
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E)-9-bromonona-1,6-dien-3-ol?
The IUPAC name of (6E)-9-bromonona-1,6-dien-3-ol (CID 10489037) is (6E)-9-bromonona-1,6-dien-3-ol.
What is the SMILES notation for (6E)-9-bromonona-1,6-dien-3-ol?
The canonical SMILES for (6E)-9-bromonona-1,6-dien-3-ol is C=CC(O)CC/C=C/CCBr.
What is the InChIKey of (6E)-9-bromonona-1,6-dien-3-ol?
The InChIKey is IYGUWEFLZVJKPC-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H15BrO/c1-2-9(11)7-5-3-4-6-8-10/h2-4,9,11H,1,5-8H2/b4-3+.
What are the key properties of (6E)-9-bromonona-1,6-dien-3-ol?
(6E)-9-bromonona-1,6-dien-3-ol has a molecular weight of 219.12 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-9-bromonona-1,6-dien-3-ol is sourced from PubChem (CID 10489037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).