[(Z)-2-iododec-2-en-4-ynoxy]-tri(propan-2-yl)silane

C19H35IOSi — CID 12003924

IUPAC[(Z)-2-iododec-2-en-4-ynoxy]-tri(propan-2-yl)silane
SMILESCCCCCC#C/C=C(\I)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H35IOSi/c1-8-9-10-11-12-13-14-19(20)15-21-22(16(2)3,17(4)5)18(6)7/h14,16-18H,8-11,15H2,1-7H3/b19-14-
InChIKeyMMJIXXLFUALZRH-RGEXLXHISA-N
MW434.48 g/mol
LogP7.08
Rot. Bonds9

About [(Z)-2-iododec-2-en-4-ynoxy]-tri(propan-2-yl)silane

[(Z)-2-iododec-2-en-4-ynoxy]-tri(propan-2-yl)silane (PubChem CID 12003924) has the molecular formula C19H35IOSi and a molecular weight of 434.48 g/mol. Its IUPAC name is [(Z)-2-iododec-2-en-4-ynoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(Z)-2-iododec-2-en-4-ynoxy]-tri(propan-2-yl)silane
PubChem CID12003924
Molecular FormulaC19H35IOSi
Molecular Weight434.48 g/mol
Exact Mass434.15
IUPAC Name[(Z)-2-iododec-2-en-4-ynoxy]-tri(propan-2-yl)silane
SMILESCCCCCC#C/C=C(\I)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H35IOSi/c1-8-9-10-11-12-13-14-19(20)15-21-22(16(2)3,17(4)5)18(6)7/h14,16-18H,8-11,15H2,1-7H3/b19-14-
InChIKeyMMJIXXLFUALZRH-RGEXLXHISA-N
XLogP7.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.48
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-Trihexylsilyloxypent-2-en-4-yne
CID 531315
tert-butyl-dimethyl-[(E)-3-methyldec-2-en-4-ynoxy]silane
CID 11065854
[(E)-but-2-enoxy]-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane
CID 12066316
trihexyl-[(E)-pent-2-en-4-ynoxy]silane
CID 22212196
tert-butyl-[(Z)-8-iodo-2-methyloct-2-en-4-ynoxy]-dimethylsilane
CID 25233351
But-2-enoxy-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane
CID 71379707

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-iododec-2-en-4-ynoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(Z)-2-iododec-2-en-4-ynoxy]-tri(propan-2-yl)silane (CID 12003924) is [(Z)-2-iododec-2-en-4-ynoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(Z)-2-iododec-2-en-4-ynoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(Z)-2-iododec-2-en-4-ynoxy]-tri(propan-2-yl)silane is CCCCCC#C/C=C(\I)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(Z)-2-iododec-2-en-4-ynoxy]-tri(propan-2-yl)silane?
The InChIKey is MMJIXXLFUALZRH-RGEXLXHISA-N. The full InChI is InChI=1S/C19H35IOSi/c1-8-9-10-11-12-13-14-19(20)15-21-22(16(2)3,17(4)5)18(6)7/h14,16-18H,8-11,15H2,1-7H3/b19-14-.
What are the key properties of [(Z)-2-iododec-2-en-4-ynoxy]-tri(propan-2-yl)silane?
[(Z)-2-iododec-2-en-4-ynoxy]-tri(propan-2-yl)silane has a molecular weight of 434.48 g/mol, XLogP of 7.08, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-iododec-2-en-4-ynoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 12003924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).