6-(chloromethyl)-2,3,7,8-tetramethylnona-1,3-diene

C14H25Cl — CID 90952653

IUPAC6-(chloromethyl)-2,3,7,8-tetramethylnona-1,3-diene
SMILESC=C(C)C(C)=CCC(CCl)C(C)C(C)C
InChIInChI=1S/C14H25Cl/c1-10(2)12(5)7-8-14(9-15)13(6)11(3)4/h7,11,13-14H,1,8-9H2,2-6H3
InChIKeyWRXVXDZPTFSJPZ-UHFFFAOYSA-N
MW228.81 g/mol
LogP5.05
Rot. Bonds6

About 6-(chloromethyl)-2,3,7,8-tetramethylnona-1,3-diene

6-(chloromethyl)-2,3,7,8-tetramethylnona-1,3-diene (PubChem CID 90952653) has the molecular formula C14H25Cl and a molecular weight of 228.81 g/mol. Its IUPAC name is 6-(chloromethyl)-2,3,7,8-tetramethylnona-1,3-diene.

Molecular Properties

Compound Name6-(chloromethyl)-2,3,7,8-tetramethylnona-1,3-diene
PubChem CID90952653
Molecular FormulaC14H25Cl
Molecular Weight228.81 g/mol
Exact Mass228.16
IUPAC Name6-(chloromethyl)-2,3,7,8-tetramethylnona-1,3-diene
SMILESC=C(C)C(C)=CCC(CCl)C(C)C(C)C
InChIInChI=1S/C14H25Cl/c1-10(2)12(5)7-8-14(9-15)13(6)11(3)4/h7,11,13-14H,1,8-9H2,2-6H3
InChIKeyWRXVXDZPTFSJPZ-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.81
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-2,3,7,8-tetramethylnona-1,3-diene?
The IUPAC name of 6-(chloromethyl)-2,3,7,8-tetramethylnona-1,3-diene (CID 90952653) is 6-(chloromethyl)-2,3,7,8-tetramethylnona-1,3-diene.
What is the SMILES notation for 6-(chloromethyl)-2,3,7,8-tetramethylnona-1,3-diene?
The canonical SMILES for 6-(chloromethyl)-2,3,7,8-tetramethylnona-1,3-diene is C=C(C)C(C)=CCC(CCl)C(C)C(C)C.
What is the InChIKey of 6-(chloromethyl)-2,3,7,8-tetramethylnona-1,3-diene?
The InChIKey is WRXVXDZPTFSJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25Cl/c1-10(2)12(5)7-8-14(9-15)13(6)11(3)4/h7,11,13-14H,1,8-9H2,2-6H3.
What are the key properties of 6-(chloromethyl)-2,3,7,8-tetramethylnona-1,3-diene?
6-(chloromethyl)-2,3,7,8-tetramethylnona-1,3-diene has a molecular weight of 228.81 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-2,3,7,8-tetramethylnona-1,3-diene is sourced from PubChem (CID 90952653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).