(3E,5E,7E)-1-iodo-3,5,7-trimethyldeca-3,5,7-triene

C13H21I — CID 88945703

IUPAC(3E,5E,7E)-1-iodo-3,5,7-trimethyldeca-3,5,7-triene
SMILESCC/C=C(C)/C=C(C)/C=C(\C)CCI
InChIInChI=1S/C13H21I/c1-5-6-11(2)9-13(4)10-12(3)7-8-14/h6,9-10H,5,7-8H2,1-4H3/b11-6+,12-10+,13-9+
InChIKeyGKRJCMUGUFCJPV-GMUYYHJFSA-N
MW304.22 g/mol
LogP5.06
Rot. Bonds5

About (3E,5E,7E)-1-iodo-3,5,7-trimethyldeca-3,5,7-triene

(3E,5E,7E)-1-iodo-3,5,7-trimethyldeca-3,5,7-triene (PubChem CID 88945703) has the molecular formula C13H21I and a molecular weight of 304.22 g/mol. Its IUPAC name is (3E,5E,7E)-1-iodo-3,5,7-trimethyldeca-3,5,7-triene.

Molecular Properties

Compound Name(3E,5E,7E)-1-iodo-3,5,7-trimethyldeca-3,5,7-triene
PubChem CID88945703
Molecular FormulaC13H21I
Molecular Weight304.22 g/mol
Exact Mass304.07
IUPAC Name(3E,5E,7E)-1-iodo-3,5,7-trimethyldeca-3,5,7-triene
SMILESCC/C=C(C)/C=C(C)/C=C(\C)CCI
InChIInChI=1S/C13H21I/c1-5-6-11(2)9-13(4)10-12(3)7-8-14/h6,9-10H,5,7-8H2,1-4H3/b11-6+,12-10+,13-9+
InChIKeyGKRJCMUGUFCJPV-GMUYYHJFSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.22
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E)-1-iodo-3,5,7-trimethyldeca-3,5,7-triene?
The IUPAC name of (3E,5E,7E)-1-iodo-3,5,7-trimethyldeca-3,5,7-triene (CID 88945703) is (3E,5E,7E)-1-iodo-3,5,7-trimethyldeca-3,5,7-triene.
What is the SMILES notation for (3E,5E,7E)-1-iodo-3,5,7-trimethyldeca-3,5,7-triene?
The canonical SMILES for (3E,5E,7E)-1-iodo-3,5,7-trimethyldeca-3,5,7-triene is CC/C=C(C)/C=C(C)/C=C(\C)CCI.
What is the InChIKey of (3E,5E,7E)-1-iodo-3,5,7-trimethyldeca-3,5,7-triene?
The InChIKey is GKRJCMUGUFCJPV-GMUYYHJFSA-N. The full InChI is InChI=1S/C13H21I/c1-5-6-11(2)9-13(4)10-12(3)7-8-14/h6,9-10H,5,7-8H2,1-4H3/b11-6+,12-10+,13-9+.
What are the key properties of (3E,5E,7E)-1-iodo-3,5,7-trimethyldeca-3,5,7-triene?
(3E,5E,7E)-1-iodo-3,5,7-trimethyldeca-3,5,7-triene has a molecular weight of 304.22 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E)-1-iodo-3,5,7-trimethyldeca-3,5,7-triene is sourced from PubChem (CID 88945703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).