(1E,3E)-1-chlorododeca-1,3-diene

C12H21Cl — CID 15469424

IUPAC(1E,3E)-1-chlorododeca-1,3-diene
SMILESCCCCCCCC/C=C/C=C/Cl
InChIInChI=1S/C12H21Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h9-12H,2-8H2,1H3/b10-9+,12-11+
InChIKeyCQFATIGUMZWDDZ-HULFFUFUSA-N
MW200.75 g/mol
LogP5.05
Rot. Bonds8

About (1E,3E)-1-chlorododeca-1,3-diene

(1E,3E)-1-chlorododeca-1,3-diene (PubChem CID 15469424) has the molecular formula C12H21Cl and a molecular weight of 200.75 g/mol. Its IUPAC name is (1E,3E)-1-chlorododeca-1,3-diene.

Molecular Properties

Compound Name(1E,3E)-1-chlorododeca-1,3-diene
PubChem CID15469424
Molecular FormulaC12H21Cl
Molecular Weight200.75 g/mol
Exact Mass200.13
IUPAC Name(1E,3E)-1-chlorododeca-1,3-diene
SMILESCCCCCCCC/C=C/C=C/Cl
InChIInChI=1S/C12H21Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h9-12H,2-8H2,1H3/b10-9+,12-11+
InChIKeyCQFATIGUMZWDDZ-HULFFUFUSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500200.75
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3E)-1-chlorodeca-1,3-diene
CID 177456739
(1E,3E)-1-chloronona-1,3-diene
CID 10964790
(3Z,5E)-1-chlorodeca-1,3,5-triene
CID 138968587
(6E)-octadeca-4,6-diene
CID 173243345
(22E)-heptatetraconta-22,24-diene
CID 56629131
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(4E,6E)-1-chlorohexadeca-4,6-diene
CID 132820251
(E)-1-chlorododec-1-ene
CID 6438318
1-chlorohept-1-ene
CID 520074
(5Z,7Z)-18-chlorooctadeca-5,7-diene
CID 146189522
(5E,7Z)-13-chlorotrideca-5,7-diene
CID 146189533

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-1-chlorododeca-1,3-diene?
The IUPAC name of (1E,3E)-1-chlorododeca-1,3-diene (CID 15469424) is (1E,3E)-1-chlorododeca-1,3-diene.
What is the SMILES notation for (1E,3E)-1-chlorododeca-1,3-diene?
The canonical SMILES for (1E,3E)-1-chlorododeca-1,3-diene is CCCCCCCC/C=C/C=C/Cl.
What is the InChIKey of (1E,3E)-1-chlorododeca-1,3-diene?
The InChIKey is CQFATIGUMZWDDZ-HULFFUFUSA-N. The full InChI is InChI=1S/C12H21Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h9-12H,2-8H2,1H3/b10-9+,12-11+.
What are the key properties of (1E,3E)-1-chlorododeca-1,3-diene?
(1E,3E)-1-chlorododeca-1,3-diene has a molecular weight of 200.75 g/mol, XLogP of 5.05, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-1-chlorododeca-1,3-diene is sourced from PubChem (CID 15469424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).