1,1,1-trichloro-4,8-dimethylnon-7-en-2-ol

C11H19Cl3O — CID 13434521

IUPAC1,1,1-trichloro-4,8-dimethylnon-7-en-2-ol
SMILESCC(C)=CCCC(C)CC(O)C(Cl)(Cl)Cl
InChIInChI=1S/C11H19Cl3O/c1-8(2)5-4-6-9(3)7-10(15)11(12,13)14/h5,9-10,15H,4,6-7H2,1-3H3
InChIKeyJKRVJFDBVFWEJT-UHFFFAOYSA-N
MW273.63 g/mol
LogP4.49
Rot. Bonds5

About 1,1,1-trichloro-4,8-dimethylnon-7-en-2-ol

1,1,1-trichloro-4,8-dimethylnon-7-en-2-ol (PubChem CID 13434521) has the molecular formula C11H19Cl3O and a molecular weight of 273.63 g/mol. Its IUPAC name is 1,1,1-trichloro-4,8-dimethylnon-7-en-2-ol.

Molecular Properties

Compound Name1,1,1-trichloro-4,8-dimethylnon-7-en-2-ol
PubChem CID13434521
Molecular FormulaC11H19Cl3O
Molecular Weight273.63 g/mol
Exact Mass272.05
IUPAC Name1,1,1-trichloro-4,8-dimethylnon-7-en-2-ol
SMILESCC(C)=CCCC(C)CC(O)C(Cl)(Cl)Cl
InChIInChI=1S/C11H19Cl3O/c1-8(2)5-4-6-9(3)7-10(15)11(12,13)14/h5,9-10,15H,4,6-7H2,1-3H3
InChIKeyJKRVJFDBVFWEJT-UHFFFAOYSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.63
LogP ≤ 54.49
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 1,1,1-trichloro-4,8-dimethylnon-7-en-2-ol?
The IUPAC name of 1,1,1-trichloro-4,8-dimethylnon-7-en-2-ol (CID 13434521) is 1,1,1-trichloro-4,8-dimethylnon-7-en-2-ol.
What is the SMILES notation for 1,1,1-trichloro-4,8-dimethylnon-7-en-2-ol?
The canonical SMILES for 1,1,1-trichloro-4,8-dimethylnon-7-en-2-ol is CC(C)=CCCC(C)CC(O)C(Cl)(Cl)Cl.
What is the InChIKey of 1,1,1-trichloro-4,8-dimethylnon-7-en-2-ol?
The InChIKey is JKRVJFDBVFWEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Cl3O/c1-8(2)5-4-6-9(3)7-10(15)11(12,13)14/h5,9-10,15H,4,6-7H2,1-3H3.
What are the key properties of 1,1,1-trichloro-4,8-dimethylnon-7-en-2-ol?
1,1,1-trichloro-4,8-dimethylnon-7-en-2-ol has a molecular weight of 273.63 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trichloro-4,8-dimethylnon-7-en-2-ol is sourced from PubChem (CID 13434521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).