(3E,5E)-12-chlorododeca-3,5-diene

C12H21Cl — CID 6450387

IUPAC(3E,5E)-12-chlorododeca-3,5-diene
SMILESCC/C=C/C=C/CCCCCCCl
InChIInChI=1S/C12H21Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h3-6H,2,7-12H2,1H3/b4-3+,6-5+
InChIKeyXEXGEIAGKDOJQX-VNKDHWASSA-N
MW200.75 g/mol
LogP4.70
Rot. Bonds8

About (3E,5E)-12-chlorododeca-3,5-diene

(3E,5E)-12-chlorododeca-3,5-diene (PubChem CID 6450387) has the molecular formula C12H21Cl and a molecular weight of 200.75 g/mol. Its IUPAC name is (3E,5E)-12-chlorododeca-3,5-diene.

Molecular Properties

Compound Name(3E,5E)-12-chlorododeca-3,5-diene
PubChem CID6450387
Molecular FormulaC12H21Cl
Molecular Weight200.75 g/mol
Exact Mass200.13
IUPAC Name(3E,5E)-12-chlorododeca-3,5-diene
SMILESCC/C=C/C=C/CCCCCCCl
InChIInChI=1S/C12H21Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h3-6H,2,7-12H2,1H3/b4-3+,6-5+
InChIKeyXEXGEIAGKDOJQX-VNKDHWASSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.75
LogP ≤ 54.70
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-12-chlorododeca-3,5-diene?
The IUPAC name of (3E,5E)-12-chlorododeca-3,5-diene (CID 6450387) is (3E,5E)-12-chlorododeca-3,5-diene.
What is the SMILES notation for (3E,5E)-12-chlorododeca-3,5-diene?
The canonical SMILES for (3E,5E)-12-chlorododeca-3,5-diene is CC/C=C/C=C/CCCCCCCl.
What is the InChIKey of (3E,5E)-12-chlorododeca-3,5-diene?
The InChIKey is XEXGEIAGKDOJQX-VNKDHWASSA-N. The full InChI is InChI=1S/C12H21Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h3-6H,2,7-12H2,1H3/b4-3+,6-5+.
What are the key properties of (3E,5E)-12-chlorododeca-3,5-diene?
(3E,5E)-12-chlorododeca-3,5-diene has a molecular weight of 200.75 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-12-chlorododeca-3,5-diene is sourced from PubChem (CID 6450387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).