(5Z,7Z)-5,8-dichlorododeca-5,7-diene

C12H20Cl2 — CID 11253319

IUPAC(5Z,7Z)-5,8-dichlorododeca-5,7-diene
SMILESCCCC/C(Cl)=C/C=C(\Cl)CCCC
InChIInChI=1S/C12H20Cl2/c1-3-5-7-11(13)9-10-12(14)8-6-4-2/h9-10H,3-8H2,1-2H3/b11-9-,12-10-
InChIKeyXUBGEKHAHIHPBG-HWAYABPNSA-N
MW235.20 g/mol
LogP5.61
Rot. Bonds7

About (5Z,7Z)-5,8-dichlorododeca-5,7-diene

(5Z,7Z)-5,8-dichlorododeca-5,7-diene (PubChem CID 11253319) has the molecular formula C12H20Cl2 and a molecular weight of 235.20 g/mol. Its IUPAC name is (5Z,7Z)-5,8-dichlorododeca-5,7-diene.

Molecular Properties

Compound Name(5Z,7Z)-5,8-dichlorododeca-5,7-diene
PubChem CID11253319
Molecular FormulaC12H20Cl2
Molecular Weight235.20 g/mol
Exact Mass234.09
IUPAC Name(5Z,7Z)-5,8-dichlorododeca-5,7-diene
SMILESCCCC/C(Cl)=C/C=C(\Cl)CCCC
InChIInChI=1S/C12H20Cl2/c1-3-5-7-11(13)9-10-12(14)8-6-4-2/h9-10H,3-8H2,1-2H3/b11-9-,12-10-
InChIKeyXUBGEKHAHIHPBG-HWAYABPNSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.20
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-5,8-dichlorododeca-5,7-diene?
The IUPAC name of (5Z,7Z)-5,8-dichlorododeca-5,7-diene (CID 11253319) is (5Z,7Z)-5,8-dichlorododeca-5,7-diene.
What is the SMILES notation for (5Z,7Z)-5,8-dichlorododeca-5,7-diene?
The canonical SMILES for (5Z,7Z)-5,8-dichlorododeca-5,7-diene is CCCC/C(Cl)=C/C=C(\Cl)CCCC.
What is the InChIKey of (5Z,7Z)-5,8-dichlorododeca-5,7-diene?
The InChIKey is XUBGEKHAHIHPBG-HWAYABPNSA-N. The full InChI is InChI=1S/C12H20Cl2/c1-3-5-7-11(13)9-10-12(14)8-6-4-2/h9-10H,3-8H2,1-2H3/b11-9-,12-10-.
What are the key properties of (5Z,7Z)-5,8-dichlorododeca-5,7-diene?
(5Z,7Z)-5,8-dichlorododeca-5,7-diene has a molecular weight of 235.20 g/mol, XLogP of 5.61, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-5,8-dichlorododeca-5,7-diene is sourced from PubChem (CID 11253319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).