[(1Z,3Z)-2-butyl-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane

C17H32I2Si — CID 134888022

IUPAC[(1Z,3Z)-2-butyl-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane
SMILESCCCCC(/C(CCC)=C(\I)CCC)=C(/I)[Si](C)(C)C
InChIInChI=1S/C17H32I2Si/c1-7-10-13-15(17(19)20(4,5)6)14(11-8-2)16(18)12-9-3/h7-13H2,1-6H3/b16-14-,17-15+
InChIKeyNZAVXLKSFWYVEU-QUDUTFMFSA-N
MW518.34 g/mol
LogP8.03
Rot. Bonds9

About [(1Z,3Z)-2-butyl-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane

[(1Z,3Z)-2-butyl-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane (PubChem CID 134888022) has the molecular formula C17H32I2Si and a molecular weight of 518.34 g/mol. Its IUPAC name is [(1Z,3Z)-2-butyl-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane.

Molecular Properties

Compound Name[(1Z,3Z)-2-butyl-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane
PubChem CID134888022
Molecular FormulaC17H32I2Si
Molecular Weight518.34 g/mol
Exact Mass518.04
IUPAC Name[(1Z,3Z)-2-butyl-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane
SMILESCCCCC(/C(CCC)=C(\I)CCC)=C(/I)[Si](C)(C)C
InChIInChI=1S/C17H32I2Si/c1-7-10-13-15(17(19)20(4,5)6)14(11-8-2)16(18)12-9-3/h7-13H2,1-6H3/b16-14-,17-15+
InChIKeyNZAVXLKSFWYVEU-QUDUTFMFSA-N
XLogP8.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.34
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(1Z,3Z)-2-hexyl-1,4-diiododeca-1,3-dienyl]-trimethylsilane
CID 11261306
[(Z,3Z)-2-butyl-1-iodo-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane
CID 11307531
(5Z,7Z)-6,7-dibutyl-5,8-diiodododeca-5,7-diene
CID 11635110
1,1-Dimethyl-2,3,4,5-tetrapropylsilacyclopenta-2,4-diene
CID 12190885
(6Z,8Z)-6,9-diiodo-7,8-dipentyltetradeca-6,8-diene
CID 134887868
Dilithium;(2-butyl-3-propylhepta-1,3-dienyl)-trimethylsilane
CID 134888103
[(Z)-1-iodo-2-[(Z)-3-iodobut-2-en-2-yl]hex-1-enyl]-trimethylsilane
CID 135010675
1,2,3,4-Tetrabutyl-1,5-dimethylsilole
CID 67184276
1,1,2,3-Tetrakis-decyl-4,5-dimethylsilole
CID 70230699
6,7-Dibutyl-5,8-diiodododeca-5,7-diene
CID 71360056
[(Z)-iodo-[(2Z)-2-(1-iodoethylidene)cyclohexylidene]methyl]-trimethylsilane
CID 157856976
2,3,4-tributyl-5-methyl-1-pentyl-1H-silole
CID 173051772

Frequently Asked Questions

What is the IUPAC name of [(1Z,3Z)-2-butyl-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane?
The IUPAC name of [(1Z,3Z)-2-butyl-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane (CID 134888022) is [(1Z,3Z)-2-butyl-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane.
What is the SMILES notation for [(1Z,3Z)-2-butyl-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane?
The canonical SMILES for [(1Z,3Z)-2-butyl-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane is CCCCC(/C(CCC)=C(\I)CCC)=C(/I)[Si](C)(C)C.
What is the InChIKey of [(1Z,3Z)-2-butyl-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane?
The InChIKey is NZAVXLKSFWYVEU-QUDUTFMFSA-N. The full InChI is InChI=1S/C17H32I2Si/c1-7-10-13-15(17(19)20(4,5)6)14(11-8-2)16(18)12-9-3/h7-13H2,1-6H3/b16-14-,17-15+.
What are the key properties of [(1Z,3Z)-2-butyl-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane?
[(1Z,3Z)-2-butyl-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane has a molecular weight of 518.34 g/mol, XLogP of 8.03, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,3Z)-2-butyl-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane is sourced from PubChem (CID 134888022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).