[(E)-4-iodo-3-methylpent-3-en-1-ynyl]-trimethylsilane;trimethyl-[(E)-3-methyl-4-trimethylsilylpent-3-en-1-ynyl]silane

C21H39ISi3 — CID 159694576

IUPAC[(E)-4-iodo-3-methylpent-3-en-1-ynyl]-trimethylsilane;trimethyl-[(E)-3-methyl-4-trimethylsilylpent-3-en-1-ynyl]silane
SMILESC/C(C#C[Si](C)(C)C)=C(/C)[Si](C)(C)C.C/C(I)=C(/C)C#C[Si](C)(C)C
InChIInChI=1S/C12H24Si2.C9H15ISi/c1-11(9-10-13(3,4)5)12(2)14(6,7)8;1-8(9(2)10)6-7-11(3,4)5/h1-8H3;1-5H3/b12-11+;9-8+
InChIKeyMWVPVZURNWFDDV-PYVAALJUSA-N
MW502.71 g/mol
LogP7.68
Rot. Bonds1

About [(E)-4-iodo-3-methylpent-3-en-1-ynyl]-trimethylsilane;trimethyl-[(E)-3-methyl-4-trimethylsilylpent-3-en-1-ynyl]silane

[(E)-4-iodo-3-methylpent-3-en-1-ynyl]-trimethylsilane;trimethyl-[(E)-3-methyl-4-trimethylsilylpent-3-en-1-ynyl]silane (PubChem CID 159694576) has the molecular formula C21H39ISi3 and a molecular weight of 502.71 g/mol. Its IUPAC name is [(E)-4-iodo-3-methylpent-3-en-1-ynyl]-trimethylsilane;trimethyl-[(E)-3-methyl-4-trimethylsilylpent-3-en-1-ynyl]silane.

Molecular Properties

Compound Name[(E)-4-iodo-3-methylpent-3-en-1-ynyl]-trimethylsilane;trimethyl-[(E)-3-methyl-4-trimethylsilylpent-3-en-1-ynyl]silane
PubChem CID159694576
Molecular FormulaC21H39ISi3
Molecular Weight502.71 g/mol
Exact Mass502.14
IUPAC Name[(E)-4-iodo-3-methylpent-3-en-1-ynyl]-trimethylsilane;trimethyl-[(E)-3-methyl-4-trimethylsilylpent-3-en-1-ynyl]silane
SMILESC/C(C#C[Si](C)(C)C)=C(/C)[Si](C)(C)C.C/C(I)=C(/C)C#C[Si](C)(C)C
InChIInChI=1S/C12H24Si2.C9H15ISi/c1-11(9-10-13(3,4)5)12(2)14(6,7)8;1-8(9(2)10)6-7-11(3,4)5/h1-8H3;1-5H3/b12-11+;9-8+
InChIKeyMWVPVZURNWFDDV-PYVAALJUSA-N
XLogP7.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.71
LogP ≤ 57.68
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1,1'-[3,4-Bis[2-(trimethylsilyl)ethynyl]-3-hexene-2,5-diyne-1,6-diyl]bis[1,1,1-trimethylsilane]
CID 11122510
[4-Methyl-3-[2-tri(propan-2-yl)silylethynyl]pent-3-en-1-ynyl]-tri(propan-2-yl)silane
CID 11133507
[4-Ethynyl-3-[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 14908282
1,6-Bis-(triisopropylsilyl)-3,4-bis[2-(triisopropylsilyl)ethynyl]-3-hexen-1,5-diyne
CID 2756755
[5,10-Di(propan-2-ylidene)-14-tri(propan-2-yl)silyltetradeca-1,3,6,8,11,13-hexaynyl]-tri(propan-2-yl)silane
CID 11017218
Trimethyl-(5-propan-2-ylidene-9-trimethylsilylnona-1,3,6,8-tetraynyl)silane
CID 11066401
[(E)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 11373977
Trimethyl-[10-trimethylsilyl-5,6-bis(4-trimethylsilylbuta-1,3-diynyl)dec-5-en-1,3,7,9-tetraynyl]silane
CID 12124859
[(Z)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 14937102
tri(propan-2-yl)-[2-[(1Z,7Z)-2,7,8-tris[2-tri(propan-2-yl)silylethynyl]cyclododeca-1,7-dien-3,5,9,11-tetrayn-1-yl]ethynyl]silane
CID 15196660
2-[(1Z,7Z,13Z)-2,7,8,13,14-pentakis[2-tri(propan-2-yl)silylethynyl]cyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayn-1-yl]ethynyl-tri(propan-2-yl)silane
CID 15196661
[1,8-Bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)oct-3-en-1,5,7-triyn-4-yl]-trimethylsilane
CID 15536971

Frequently Asked Questions

What is the IUPAC name of [(E)-4-iodo-3-methylpent-3-en-1-ynyl]-trimethylsilane;trimethyl-[(E)-3-methyl-4-trimethylsilylpent-3-en-1-ynyl]silane?
The IUPAC name of [(E)-4-iodo-3-methylpent-3-en-1-ynyl]-trimethylsilane;trimethyl-[(E)-3-methyl-4-trimethylsilylpent-3-en-1-ynyl]silane (CID 159694576) is [(E)-4-iodo-3-methylpent-3-en-1-ynyl]-trimethylsilane;trimethyl-[(E)-3-methyl-4-trimethylsilylpent-3-en-1-ynyl]silane.
What is the SMILES notation for [(E)-4-iodo-3-methylpent-3-en-1-ynyl]-trimethylsilane;trimethyl-[(E)-3-methyl-4-trimethylsilylpent-3-en-1-ynyl]silane?
The canonical SMILES for [(E)-4-iodo-3-methylpent-3-en-1-ynyl]-trimethylsilane;trimethyl-[(E)-3-methyl-4-trimethylsilylpent-3-en-1-ynyl]silane is C/C(C#C[Si](C)(C)C)=C(/C)[Si](C)(C)C.C/C(I)=C(/C)C#C[Si](C)(C)C.
What is the InChIKey of [(E)-4-iodo-3-methylpent-3-en-1-ynyl]-trimethylsilane;trimethyl-[(E)-3-methyl-4-trimethylsilylpent-3-en-1-ynyl]silane?
The InChIKey is MWVPVZURNWFDDV-PYVAALJUSA-N. The full InChI is InChI=1S/C12H24Si2.C9H15ISi/c1-11(9-10-13(3,4)5)12(2)14(6,7)8;1-8(9(2)10)6-7-11(3,4)5/h1-8H3;1-5H3/b12-11+;9-8+.
What are the key properties of [(E)-4-iodo-3-methylpent-3-en-1-ynyl]-trimethylsilane;trimethyl-[(E)-3-methyl-4-trimethylsilylpent-3-en-1-ynyl]silane?
[(E)-4-iodo-3-methylpent-3-en-1-ynyl]-trimethylsilane;trimethyl-[(E)-3-methyl-4-trimethylsilylpent-3-en-1-ynyl]silane has a molecular weight of 502.71 g/mol, XLogP of 7.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-iodo-3-methylpent-3-en-1-ynyl]-trimethylsilane;trimethyl-[(E)-3-methyl-4-trimethylsilylpent-3-en-1-ynyl]silane is sourced from PubChem (CID 159694576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).