(6E)-6-(chloromethyl)trideca-1,6-diene

C14H25Cl — CID 134897711

IUPAC(6E)-6-(chloromethyl)trideca-1,6-diene
SMILESC=CCCC/C(=C\CCCCCC)CCl
InChIInChI=1S/C14H25Cl/c1-3-5-7-8-10-12-14(13-15)11-9-6-4-2/h4,12H,2-3,5-11,13H2,1H3/b14-12+
InChIKeyFHFXUHFGXWOCPD-WYMLVPIESA-N
MW228.81 g/mol
LogP5.48
Rot. Bonds10

About (6E)-6-(chloromethyl)trideca-1,6-diene

(6E)-6-(chloromethyl)trideca-1,6-diene (PubChem CID 134897711) has the molecular formula C14H25Cl and a molecular weight of 228.81 g/mol. Its IUPAC name is (6E)-6-(chloromethyl)trideca-1,6-diene.

Molecular Properties

Compound Name(6E)-6-(chloromethyl)trideca-1,6-diene
PubChem CID134897711
Molecular FormulaC14H25Cl
Molecular Weight228.81 g/mol
Exact Mass228.16
IUPAC Name(6E)-6-(chloromethyl)trideca-1,6-diene
SMILESC=CCCC/C(=C\CCCCCC)CCl
InChIInChI=1S/C14H25Cl/c1-3-5-7-8-10-12-14(13-15)11-9-6-4-2/h4,12H,2-3,5-11,13H2,1H3/b14-12+
InChIKeyFHFXUHFGXWOCPD-WYMLVPIESA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.81
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (6E)-6-(chloromethyl)trideca-1,6-diene?
The IUPAC name of (6E)-6-(chloromethyl)trideca-1,6-diene (CID 134897711) is (6E)-6-(chloromethyl)trideca-1,6-diene.
What is the SMILES notation for (6E)-6-(chloromethyl)trideca-1,6-diene?
The canonical SMILES for (6E)-6-(chloromethyl)trideca-1,6-diene is C=CCCC/C(=C\CCCCCC)CCl.
What is the InChIKey of (6E)-6-(chloromethyl)trideca-1,6-diene?
The InChIKey is FHFXUHFGXWOCPD-WYMLVPIESA-N. The full InChI is InChI=1S/C14H25Cl/c1-3-5-7-8-10-12-14(13-15)11-9-6-4-2/h4,12H,2-3,5-11,13H2,1H3/b14-12+.
What are the key properties of (6E)-6-(chloromethyl)trideca-1,6-diene?
(6E)-6-(chloromethyl)trideca-1,6-diene has a molecular weight of 228.81 g/mol, XLogP of 5.48, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-(chloromethyl)trideca-1,6-diene is sourced from PubChem (CID 134897711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).