(5Z)-5-ethyl-6-iodo-2-methyldeca-2,3,5-triene

C13H21I — CID 10402756

IUPAC(5Z)-5-ethyl-6-iodo-2-methyldeca-2,3,5-triene
SMILESCCCC/C(I)=C(/C=C=C(C)C)CC
InChIInChI=1S/C13H21I/c1-5-7-8-13(14)12(6-2)10-9-11(3)4/h10H,5-8H2,1-4H3/b13-12-
InChIKeyPFQOVPJHPGPCDN-SEYXRHQNSA-N
MW304.22 g/mol
LogP5.40
Rot. Bonds5

About (5Z)-5-ethyl-6-iodo-2-methyldeca-2,3,5-triene

(5Z)-5-ethyl-6-iodo-2-methyldeca-2,3,5-triene (PubChem CID 10402756) has the molecular formula C13H21I and a molecular weight of 304.22 g/mol. Its IUPAC name is (5Z)-5-ethyl-6-iodo-2-methyldeca-2,3,5-triene.

Molecular Properties

Compound Name(5Z)-5-ethyl-6-iodo-2-methyldeca-2,3,5-triene
PubChem CID10402756
Molecular FormulaC13H21I
Molecular Weight304.22 g/mol
Exact Mass304.07
IUPAC Name(5Z)-5-ethyl-6-iodo-2-methyldeca-2,3,5-triene
SMILESCCCC/C(I)=C(/C=C=C(C)C)CC
InChIInChI=1S/C13H21I/c1-5-7-8-13(14)12(6-2)10-9-11(3)4/h10H,5-8H2,1-4H3/b13-12-
InChIKeyPFQOVPJHPGPCDN-SEYXRHQNSA-N
XLogP5.40
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 ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-butyl-5-ethyl-8-methylnona-4,6,7-trien-2-yn-1-ol
CID 10443962
(E)-2,3-diiodohept-2-ene-1,1,1-triol
CID 118275607
6-iodo-7-methyldodec-6-ene
CID 71334644
(3E)-3-ethyl-4-iodopenta-1,3-diene
CID 88557355
4-methyloct-3-ene
CID 85445337
(E)-5-methylnon-4-enal
CID 101111838
(Z,2Z)-2-butan-2-ylidene-4-methyloct-3-enenitrile
CID 138643821
(6E,8E)-6,9-dimethyltetradeca-6,8-diene
CID 16741365
methyl 3-iodohept-2-enoate
CID 71346581
3-butyl-2-iodohept-2-enal
CID 134996116
4-(2-methylprop-1-enylidene)octan-2-ol
CID 12739718
(2S)-4-(2-methylprop-1-enylidene)octan-2-ol
CID 71419807

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-ethyl-6-iodo-2-methyldeca-2,3,5-triene?
The IUPAC name of (5Z)-5-ethyl-6-iodo-2-methyldeca-2,3,5-triene (CID 10402756) is (5Z)-5-ethyl-6-iodo-2-methyldeca-2,3,5-triene.
What is the SMILES notation for (5Z)-5-ethyl-6-iodo-2-methyldeca-2,3,5-triene?
The canonical SMILES for (5Z)-5-ethyl-6-iodo-2-methyldeca-2,3,5-triene is CCCC/C(I)=C(/C=C=C(C)C)CC.
What is the InChIKey of (5Z)-5-ethyl-6-iodo-2-methyldeca-2,3,5-triene?
The InChIKey is PFQOVPJHPGPCDN-SEYXRHQNSA-N. The full InChI is InChI=1S/C13H21I/c1-5-7-8-13(14)12(6-2)10-9-11(3)4/h10H,5-8H2,1-4H3/b13-12-.
What are the key properties of (5Z)-5-ethyl-6-iodo-2-methyldeca-2,3,5-triene?
(5Z)-5-ethyl-6-iodo-2-methyldeca-2,3,5-triene has a molecular weight of 304.22 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-ethyl-6-iodo-2-methyldeca-2,3,5-triene is sourced from PubChem (CID 10402756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).