5,6,9-tribromo-8-chloro-2-methylnon-2-en-4-ol

C10H16Br3ClO — CID 20982005

IUPAC5,6,9-tribromo-8-chloro-2-methylnon-2-en-4-ol
SMILESCC(C)=CC(O)C(Br)C(Br)CC(Cl)CBr
InChIInChI=1S/C10H16Br3ClO/c1-6(2)3-9(15)10(13)8(12)4-7(14)5-11/h3,7-10,15H,4-5H2,1-2H3
InChIKeyNSWGYHWHPQLZHK-UHFFFAOYSA-N
MW427.40 g/mol
LogP4.23
Rot. Bonds6

About 5,6,9-tribromo-8-chloro-2-methylnon-2-en-4-ol

5,6,9-tribromo-8-chloro-2-methylnon-2-en-4-ol (PubChem CID 20982005) has the molecular formula C10H16Br3ClO and a molecular weight of 427.40 g/mol. Its IUPAC name is 5,6,9-tribromo-8-chloro-2-methylnon-2-en-4-ol.

Molecular Properties

Compound Name5,6,9-tribromo-8-chloro-2-methylnon-2-en-4-ol
PubChem CID20982005
Molecular FormulaC10H16Br3ClO
Molecular Weight427.40 g/mol
Exact Mass423.84
IUPAC Name5,6,9-tribromo-8-chloro-2-methylnon-2-en-4-ol
SMILESCC(C)=CC(O)C(Br)C(Br)CC(Cl)CBr
InChIInChI=1S/C10H16Br3ClO/c1-6(2)3-9(15)10(13)8(12)4-7(14)5-11/h3,7-10,15H,4-5H2,1-2H3
InChIKeyNSWGYHWHPQLZHK-UHFFFAOYSA-N
XLogP4.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.40
LogP ≤ 54.23
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 5,6,9-tribromo-8-chloro-2-methylnon-2-en-4-ol?
The IUPAC name of 5,6,9-tribromo-8-chloro-2-methylnon-2-en-4-ol (CID 20982005) is 5,6,9-tribromo-8-chloro-2-methylnon-2-en-4-ol.
What is the SMILES notation for 5,6,9-tribromo-8-chloro-2-methylnon-2-en-4-ol?
The canonical SMILES for 5,6,9-tribromo-8-chloro-2-methylnon-2-en-4-ol is CC(C)=CC(O)C(Br)C(Br)CC(Cl)CBr.
What is the InChIKey of 5,6,9-tribromo-8-chloro-2-methylnon-2-en-4-ol?
The InChIKey is NSWGYHWHPQLZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Br3ClO/c1-6(2)3-9(15)10(13)8(12)4-7(14)5-11/h3,7-10,15H,4-5H2,1-2H3.
What are the key properties of 5,6,9-tribromo-8-chloro-2-methylnon-2-en-4-ol?
5,6,9-tribromo-8-chloro-2-methylnon-2-en-4-ol has a molecular weight of 427.40 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,9-tribromo-8-chloro-2-methylnon-2-en-4-ol is sourced from PubChem (CID 20982005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).