1-bromo-1-chloro-4,8-dimethylnon-7-en-2-ol

C11H20BrClO — CID 10989717

IUPAC1-bromo-1-chloro-4,8-dimethylnon-7-en-2-ol
SMILESCC(C)=CCCC(C)CC(O)C(Cl)Br
InChIInChI=1S/C11H20BrClO/c1-8(2)5-4-6-9(3)7-10(14)11(12)13/h5,9-11,14H,4,6-7H2,1-3H3
InChIKeyPMXIHCSYWGXBHR-UHFFFAOYSA-N
MW283.64 g/mol
LogP4.08
Rot. Bonds6

About 1-bromo-1-chloro-4,8-dimethylnon-7-en-2-ol

1-bromo-1-chloro-4,8-dimethylnon-7-en-2-ol (PubChem CID 10989717) has the molecular formula C11H20BrClO and a molecular weight of 283.64 g/mol. Its IUPAC name is 1-bromo-1-chloro-4,8-dimethylnon-7-en-2-ol.

Molecular Properties

Compound Name1-bromo-1-chloro-4,8-dimethylnon-7-en-2-ol
PubChem CID10989717
Molecular FormulaC11H20BrClO
Molecular Weight283.64 g/mol
Exact Mass282.04
IUPAC Name1-bromo-1-chloro-4,8-dimethylnon-7-en-2-ol
SMILESCC(C)=CCCC(C)CC(O)C(Cl)Br
InChIInChI=1S/C11H20BrClO/c1-8(2)5-4-6-9(3)7-10(14)11(12)13/h5,9-11,14H,4,6-7H2,1-3H3
InChIKeyPMXIHCSYWGXBHR-UHFFFAOYSA-N
XLogP4.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.64
LogP ≤ 54.08
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 1-bromo-1-chloro-4,8-dimethylnon-7-en-2-ol?
The IUPAC name of 1-bromo-1-chloro-4,8-dimethylnon-7-en-2-ol (CID 10989717) is 1-bromo-1-chloro-4,8-dimethylnon-7-en-2-ol.
What is the SMILES notation for 1-bromo-1-chloro-4,8-dimethylnon-7-en-2-ol?
The canonical SMILES for 1-bromo-1-chloro-4,8-dimethylnon-7-en-2-ol is CC(C)=CCCC(C)CC(O)C(Cl)Br.
What is the InChIKey of 1-bromo-1-chloro-4,8-dimethylnon-7-en-2-ol?
The InChIKey is PMXIHCSYWGXBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrClO/c1-8(2)5-4-6-9(3)7-10(14)11(12)13/h5,9-11,14H,4,6-7H2,1-3H3.
What are the key properties of 1-bromo-1-chloro-4,8-dimethylnon-7-en-2-ol?
1-bromo-1-chloro-4,8-dimethylnon-7-en-2-ol has a molecular weight of 283.64 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-chloro-4,8-dimethylnon-7-en-2-ol is sourced from PubChem (CID 10989717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).