(E)-3-[tert-butyl(diphenyl)silyl]-5-trimethylsilyl-2-trimethylstannylpent-2-en-4-yn-1-ol

C27H40OSi2Sn — CID 6312841

IUPAC(E)-3-[tert-butyl(diphenyl)silyl]-5-trimethylsilyl-2-trimethylstannylpent-2-en-4-yn-1-ol
SMILESCC(C)(C)[Si](/C(C#C[Si](C)(C)C)=C(\CO)[Sn](C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31OSi2.3CH3.Sn/c1-24(2,3)27(21-13-9-7-10-14-21,22-15-11-8-12-16-22)23(17-19-25)18-20-26(4,5)6;;;;/h7-16,25H,19H2,1-6H3;3*1H3;
InChIKeyHNKRLTVZGFTQJD-UHFFFAOYSA-N
MW555.50 g/mol
LogP5.64
Rot. Bonds5

About (E)-3-[tert-butyl(diphenyl)silyl]-5-trimethylsilyl-2-trimethylstannylpent-2-en-4-yn-1-ol

(E)-3-[tert-butyl(diphenyl)silyl]-5-trimethylsilyl-2-trimethylstannylpent-2-en-4-yn-1-ol (PubChem CID 6312841) has the molecular formula C27H40OSi2Sn and a molecular weight of 555.50 g/mol. Its IUPAC name is (E)-3-[tert-butyl(diphenyl)silyl]-5-trimethylsilyl-2-trimethylstannylpent-2-en-4-yn-1-ol.

Molecular Properties

Compound Name(E)-3-[tert-butyl(diphenyl)silyl]-5-trimethylsilyl-2-trimethylstannylpent-2-en-4-yn-1-ol
PubChem CID6312841
Molecular FormulaC27H40OSi2Sn
Molecular Weight555.50 g/mol
Exact Mass556.16
IUPAC Name(E)-3-[tert-butyl(diphenyl)silyl]-5-trimethylsilyl-2-trimethylstannylpent-2-en-4-yn-1-ol
SMILESCC(C)(C)[Si](/C(C#C[Si](C)(C)C)=C(\CO)[Sn](C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31OSi2.3CH3.Sn/c1-24(2,3)27(21-13-9-7-10-14-21,22-15-11-8-12-16-22)23(17-19-25)18-20-26(4,5)6;;;;/h7-16,25H,19H2,1-6H3;3*1H3;
InChIKeyHNKRLTVZGFTQJD-UHFFFAOYSA-N
XLogP5.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.50
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(3E,9E)-4,9-bis[tert-butyl(diphenyl)silyl]-3,10-dichloro-12-trimethylsilyldodeca-3,9-dien-5,7-diynyl]-trimethylsilane
CID 102420798
(2R,3S)-5-[tert-butyl(diphenyl)silyl]pent-4-ene-1,2,3,5-tetrol
CID 140511957
1-[tert-butyl(diphenyl)silyl]-2-fluoroethanone
CID 86211351
(2R)-2-phenyl-5-trimethylsilylpent-4-yn-2-ol
CID 134964720
5-[tert-butyl(diphenyl)silyl]-3-methylhexa-3,4-dien-2-ol
CID 11121676
tert-butyl-diphenyl-(1-phenylpropa-1,2-dienyl)silane
CID 11210438
1-[tert-butyl(diphenyl)silyl]-2,2-difluoroethanone
CID 11472623
tert-butyl-hex-1-en-2-yl-diphenylsilane
CID 10314087
1-(tert-butyl-methyl-phenylsilyl)ethanol
CID 14898793
(1R)-2,2-dimethyl-1-phenyl-4-trimethylsilylbut-3-yn-1-ol
CID 134967725
4-[(3-hydroxy-3-methylbut-1-ynyl)-methyl-phenylsilyl]-2-methylbut-3-yn-2-ol
CID 13211512
[(E)-3,4-bis(trimethylstannyl)hex-3-en-1-ynyl]-trimethylsilane
CID 134994840

Frequently Asked Questions

What is the IUPAC name of (E)-3-[tert-butyl(diphenyl)silyl]-5-trimethylsilyl-2-trimethylstannylpent-2-en-4-yn-1-ol?
The IUPAC name of (E)-3-[tert-butyl(diphenyl)silyl]-5-trimethylsilyl-2-trimethylstannylpent-2-en-4-yn-1-ol (CID 6312841) is (E)-3-[tert-butyl(diphenyl)silyl]-5-trimethylsilyl-2-trimethylstannylpent-2-en-4-yn-1-ol.
What is the SMILES notation for (E)-3-[tert-butyl(diphenyl)silyl]-5-trimethylsilyl-2-trimethylstannylpent-2-en-4-yn-1-ol?
The canonical SMILES for (E)-3-[tert-butyl(diphenyl)silyl]-5-trimethylsilyl-2-trimethylstannylpent-2-en-4-yn-1-ol is CC(C)(C)[Si](/C(C#C[Si](C)(C)C)=C(\CO)[Sn](C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-3-[tert-butyl(diphenyl)silyl]-5-trimethylsilyl-2-trimethylstannylpent-2-en-4-yn-1-ol?
The InChIKey is HNKRLTVZGFTQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31OSi2.3CH3.Sn/c1-24(2,3)27(21-13-9-7-10-14-21,22-15-11-8-12-16-22)23(17-19-25)18-20-26(4,5)6;;;;/h7-16,25H,19H2,1-6H3;3*1H3;.
What are the key properties of (E)-3-[tert-butyl(diphenyl)silyl]-5-trimethylsilyl-2-trimethylstannylpent-2-en-4-yn-1-ol?
(E)-3-[tert-butyl(diphenyl)silyl]-5-trimethylsilyl-2-trimethylstannylpent-2-en-4-yn-1-ol has a molecular weight of 555.50 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[tert-butyl(diphenyl)silyl]-5-trimethylsilyl-2-trimethylstannylpent-2-en-4-yn-1-ol is sourced from PubChem (CID 6312841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).