tert-butyl-[(3R,4R)-3-(2-iodoethyl)-4,8-dimethylnon-7-en-1-ynyl]-dimethylsilane

C19H35ISi — CID 162411213

IUPACtert-butyl-[(3R,4R)-3-(2-iodoethyl)-4,8-dimethylnon-7-en-1-ynyl]-dimethylsilane
SMILESCC(C)=CCC[C@@H](C)[C@H](C#C[Si](C)(C)C(C)(C)C)CCI
InChIInChI=1S/C19H35ISi/c1-16(2)10-9-11-17(3)18(12-14-20)13-15-21(7,8)19(4,5)6/h10,17-18H,9,11-12,14H2,1-8H3/t17-,18+/m1/s1
InChIKeyPSQKOVCNORLDFQ-MSOLQXFVSA-N
MW418.48 g/mol
LogP6.86
Rot. Bonds6

About tert-butyl-[(3R,4R)-3-(2-iodoethyl)-4,8-dimethylnon-7-en-1-ynyl]-dimethylsilane

tert-butyl-[(3R,4R)-3-(2-iodoethyl)-4,8-dimethylnon-7-en-1-ynyl]-dimethylsilane (PubChem CID 162411213) has the molecular formula C19H35ISi and a molecular weight of 418.48 g/mol. Its IUPAC name is tert-butyl-[(3R,4R)-3-(2-iodoethyl)-4,8-dimethylnon-7-en-1-ynyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R,4R)-3-(2-iodoethyl)-4,8-dimethylnon-7-en-1-ynyl]-dimethylsilane
PubChem CID162411213
Molecular FormulaC19H35ISi
Molecular Weight418.48 g/mol
Exact Mass418.16
IUPAC Nametert-butyl-[(3R,4R)-3-(2-iodoethyl)-4,8-dimethylnon-7-en-1-ynyl]-dimethylsilane
SMILESCC(C)=CCC[C@@H](C)[C@H](C#C[Si](C)(C)C(C)(C)C)CCI
InChIInChI=1S/C19H35ISi/c1-16(2)10-9-11-17(3)18(12-14-20)13-15-21(7,8)19(4,5)6/h10,17-18H,9,11-12,14H2,1-8H3/t17-,18+/m1/s1
InChIKeyPSQKOVCNORLDFQ-MSOLQXFVSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.48
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[4-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]buta-1,3-diynyl]silane
CID 11085963
[(5S)-5,9-dimethyldec-8-en-1-ynyl]-trimethylsilane
CID 134995059
[(5R)-5,9-dimethyldec-8-en-1-ynyl]-trimethylsilane
CID 10728541
8-(4-Tert-butylcyclohexen-1-yl)octa-1,7-diynyl-tri(propan-2-yl)silane
CID 11475033
Tri(propan-2-yl)-(5,9,13,17-tetramethyloctadec-4-en-1-ynyl)silane
CID 140820995
[(Z)-3-(cyclohexylmethyl)undec-3-en-1-ynyl]-trimethylsilane
CID 150454688
[(3E)-3-(cyclohexylmethylidene)undec-1-ynyl]-trimethylsilane
CID 153984739
Dimethyl-[2-methyl-4-(5-methylcyclohexen-1-yl)but-3-yn-2-yl]-prop-1-ynylsilane
CID 164147320
tri(propan-2-yl)-[(E)-5,9,13,17-tetramethyloctadec-4-en-1-ynyl]silane
CID 173638330
3-(Cyclohexylmethylidene)undec-1-ynyl-trimethylsilane
CID 174858692
3-(Cyclohexylmethyl)undec-3-en-1-ynyl-trimethylsilane
CID 174858693
[(5R)-5,9-dimethyl-1-trimethylsilyldec-8-en-1-yn-3-yl]-trimethylsilane
CID 10566787

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R,4R)-3-(2-iodoethyl)-4,8-dimethylnon-7-en-1-ynyl]-dimethylsilane?
The IUPAC name of tert-butyl-[(3R,4R)-3-(2-iodoethyl)-4,8-dimethylnon-7-en-1-ynyl]-dimethylsilane (CID 162411213) is tert-butyl-[(3R,4R)-3-(2-iodoethyl)-4,8-dimethylnon-7-en-1-ynyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R,4R)-3-(2-iodoethyl)-4,8-dimethylnon-7-en-1-ynyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R,4R)-3-(2-iodoethyl)-4,8-dimethylnon-7-en-1-ynyl]-dimethylsilane is CC(C)=CCC[C@@H](C)[C@H](C#C[Si](C)(C)C(C)(C)C)CCI.
What is the InChIKey of tert-butyl-[(3R,4R)-3-(2-iodoethyl)-4,8-dimethylnon-7-en-1-ynyl]-dimethylsilane?
The InChIKey is PSQKOVCNORLDFQ-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H35ISi/c1-16(2)10-9-11-17(3)18(12-14-20)13-15-21(7,8)19(4,5)6/h10,17-18H,9,11-12,14H2,1-8H3/t17-,18+/m1/s1.
What are the key properties of tert-butyl-[(3R,4R)-3-(2-iodoethyl)-4,8-dimethylnon-7-en-1-ynyl]-dimethylsilane?
tert-butyl-[(3R,4R)-3-(2-iodoethyl)-4,8-dimethylnon-7-en-1-ynyl]-dimethylsilane has a molecular weight of 418.48 g/mol, XLogP of 6.86, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R,4R)-3-(2-iodoethyl)-4,8-dimethylnon-7-en-1-ynyl]-dimethylsilane is sourced from PubChem (CID 162411213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).