(3E,7E,8Z)-7-(1-chloroethylidene)-5-iodo-4-[(Z)-prop-1-enyl]deca-1,3,8-triene;ethane

C17H26ClI — CID 142578405

IUPAC(3E,7E,8Z)-7-(1-chloroethylidene)-5-iodo-4-[(Z)-prop-1-enyl]deca-1,3,8-triene;ethane
SMILESC=C/C=C(\C=C/C)C(I)CC(/C=C\C)=C(/C)Cl.CC
InChIInChI=1S/C15H20ClI.C2H6/c1-5-8-13(9-6-2)15(17)11-14(10-7-3)12(4)16;1-2/h5-10,15H,1,11H2,2-4H3;1-2H3/b9-6-,10-7-,13-8+,14-12-;
InChIKeyHDXLQMCWCZKIGA-DPILFSDISA-N
MW392.75 g/mol
LogP6.98
Rot. Bonds6

About (3E,7E,8Z)-7-(1-chloroethylidene)-5-iodo-4-[(Z)-prop-1-enyl]deca-1,3,8-triene;ethane

(3E,7E,8Z)-7-(1-chloroethylidene)-5-iodo-4-[(Z)-prop-1-enyl]deca-1,3,8-triene;ethane (PubChem CID 142578405) has the molecular formula C17H26ClI and a molecular weight of 392.75 g/mol. Its IUPAC name is (3E,7E,8Z)-7-(1-chloroethylidene)-5-iodo-4-[(Z)-prop-1-enyl]deca-1,3,8-triene;ethane.

Molecular Properties

Compound Name(3E,7E,8Z)-7-(1-chloroethylidene)-5-iodo-4-[(Z)-prop-1-enyl]deca-1,3,8-triene;ethane
PubChem CID142578405
Molecular FormulaC17H26ClI
Molecular Weight392.75 g/mol
Exact Mass392.08
IUPAC Name(3E,7E,8Z)-7-(1-chloroethylidene)-5-iodo-4-[(Z)-prop-1-enyl]deca-1,3,8-triene;ethane
SMILESC=C/C=C(\C=C/C)C(I)CC(/C=C\C)=C(/C)Cl.CC
InChIInChI=1S/C15H20ClI.C2H6/c1-5-8-13(9-6-2)15(17)11-14(10-7-3)12(4)16;1-2/h5-10,15H,1,11H2,2-4H3;1-2H3/b9-6-,10-7-,13-8+,14-12-;
InChIKeyHDXLQMCWCZKIGA-DPILFSDISA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.75
LogP ≤ 56.98
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'}

Analyze (3E,7E,8Z)-7-(1-chloroethylidene)-5-iodo-4-[(Z)-prop-1-enyl]deca-1,3,8-triene;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine
CID 142253668
ethane;(3E,6E,7Z)-4-ethenyl-6-ethylidene-5-methylnona-1,3,7-triene
CID 143201659
(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
CID 87112963
ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-ol
CID 156838266
4-(1-chloroethylidene)hept-5-en-2-yl carbamate
CID 123928018
ethane;methoxyethane;(3Z,5Z)-4-methylhepta-1,3,5-triene
CID 142066617
N-[(3E)-2-hydroxy-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]formamide
CID 164901972
ethane;[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene
CID 143204941
(2S,3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dienal;pentan-2-one
CID 143358697
ethane;(3E,5Z)-4-(methylsulfanylmethyl)hepta-1,3,5-triene
CID 142823912
[(3E,7E)-4,7-bis[(Z)-prop-1-enyl]-6-[(1E)-1-[(Z)-prop-1-enyl]buta-1,3-dienyl]deca-1,3,7,9-tetraen-5-yl]benzene
CID 144915039
methane;(2Z,4E,7E,8Z)-6-methyl-5-[(Z)-prop-1-enyl]-7-prop-2-enylideneundeca-2,4,8-triene
CID 143782446

Frequently Asked Questions

What is the IUPAC name of (3E,7E,8Z)-7-(1-chloroethylidene)-5-iodo-4-[(Z)-prop-1-enyl]deca-1,3,8-triene;ethane?
The IUPAC name of (3E,7E,8Z)-7-(1-chloroethylidene)-5-iodo-4-[(Z)-prop-1-enyl]deca-1,3,8-triene;ethane (CID 142578405) is (3E,7E,8Z)-7-(1-chloroethylidene)-5-iodo-4-[(Z)-prop-1-enyl]deca-1,3,8-triene;ethane.
What is the SMILES notation for (3E,7E,8Z)-7-(1-chloroethylidene)-5-iodo-4-[(Z)-prop-1-enyl]deca-1,3,8-triene;ethane?
The canonical SMILES for (3E,7E,8Z)-7-(1-chloroethylidene)-5-iodo-4-[(Z)-prop-1-enyl]deca-1,3,8-triene;ethane is C=C/C=C(\C=C/C)C(I)CC(/C=C\C)=C(/C)Cl.CC.
What is the InChIKey of (3E,7E,8Z)-7-(1-chloroethylidene)-5-iodo-4-[(Z)-prop-1-enyl]deca-1,3,8-triene;ethane?
The InChIKey is HDXLQMCWCZKIGA-DPILFSDISA-N. The full InChI is InChI=1S/C15H20ClI.C2H6/c1-5-8-13(9-6-2)15(17)11-14(10-7-3)12(4)16;1-2/h5-10,15H,1,11H2,2-4H3;1-2H3/b9-6-,10-7-,13-8+,14-12-;.
What are the key properties of (3E,7E,8Z)-7-(1-chloroethylidene)-5-iodo-4-[(Z)-prop-1-enyl]deca-1,3,8-triene;ethane?
(3E,7E,8Z)-7-(1-chloroethylidene)-5-iodo-4-[(Z)-prop-1-enyl]deca-1,3,8-triene;ethane has a molecular weight of 392.75 g/mol, XLogP of 6.98, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7E,8Z)-7-(1-chloroethylidene)-5-iodo-4-[(Z)-prop-1-enyl]deca-1,3,8-triene;ethane is sourced from PubChem (CID 142578405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).