(1E)-1-chloro-4,8-dimethylnona-1,7-diene

C11H19Cl — CID 138971565

IUPAC(1E)-1-chloro-4,8-dimethylnona-1,7-diene
SMILESCC(C)=CCCC(C)C/C=C/Cl
InChIInChI=1S/C11H19Cl/c1-10(2)6-4-7-11(3)8-5-9-12/h5-6,9,11H,4,7-8H2,1-3H3/b9-5+
InChIKeyDZQWBSLIRVWAME-WEVVVXLNSA-N
MW186.73 g/mol
LogP4.51
Rot. Bonds5

About (1E)-1-chloro-4,8-dimethylnona-1,7-diene

(1E)-1-chloro-4,8-dimethylnona-1,7-diene (PubChem CID 138971565) has the molecular formula C11H19Cl and a molecular weight of 186.73 g/mol. Its IUPAC name is (1E)-1-chloro-4,8-dimethylnona-1,7-diene.

Molecular Properties

Compound Name(1E)-1-chloro-4,8-dimethylnona-1,7-diene
PubChem CID138971565
Molecular FormulaC11H19Cl
Molecular Weight186.73 g/mol
Exact Mass186.12
IUPAC Name(1E)-1-chloro-4,8-dimethylnona-1,7-diene
SMILESCC(C)=CCCC(C)C/C=C/Cl
InChIInChI=1S/C11H19Cl/c1-10(2)6-4-7-11(3)8-5-9-12/h5-6,9,11H,4,7-8H2,1-3H3/b9-5+
InChIKeyDZQWBSLIRVWAME-WEVVVXLNSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.73
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-chloro-4,8-dimethylnona-1,7-diene?
The IUPAC name of (1E)-1-chloro-4,8-dimethylnona-1,7-diene (CID 138971565) is (1E)-1-chloro-4,8-dimethylnona-1,7-diene.
What is the SMILES notation for (1E)-1-chloro-4,8-dimethylnona-1,7-diene?
The canonical SMILES for (1E)-1-chloro-4,8-dimethylnona-1,7-diene is CC(C)=CCCC(C)C/C=C/Cl.
What is the InChIKey of (1E)-1-chloro-4,8-dimethylnona-1,7-diene?
The InChIKey is DZQWBSLIRVWAME-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H19Cl/c1-10(2)6-4-7-11(3)8-5-9-12/h5-6,9,11H,4,7-8H2,1-3H3/b9-5+.
What are the key properties of (1E)-1-chloro-4,8-dimethylnona-1,7-diene?
(1E)-1-chloro-4,8-dimethylnona-1,7-diene has a molecular weight of 186.73 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-chloro-4,8-dimethylnona-1,7-diene is sourced from PubChem (CID 138971565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).