(5,5-dimethyl-6-phenylmethoxyoct-7-en-1-yn-3-yl)oxy-trimethylsilane

C20H30O2Si — CID 24886629

IUPAC(5,5-dimethyl-6-phenylmethoxyoct-7-en-1-yn-3-yl)oxy-trimethylsilane
SMILESC#CC(CC(C)(C)C(C=C)OCc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C20H30O2Si/c1-8-18(22-23(5,6)7)15-20(3,4)19(9-2)21-16-17-13-11-10-12-14-17/h1,9-14,18-19H,2,15-16H2,3-7H3
InChIKeyRYFFRPLFRDUVBE-UHFFFAOYSA-N
MW330.54 g/mol
LogP5.03
Rot. Bonds9

About (5,5-dimethyl-6-phenylmethoxyoct-7-en-1-yn-3-yl)oxy-trimethylsilane

(5,5-dimethyl-6-phenylmethoxyoct-7-en-1-yn-3-yl)oxy-trimethylsilane (PubChem CID 24886629) has the molecular formula C20H30O2Si and a molecular weight of 330.54 g/mol. Its IUPAC name is (5,5-dimethyl-6-phenylmethoxyoct-7-en-1-yn-3-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(5,5-dimethyl-6-phenylmethoxyoct-7-en-1-yn-3-yl)oxy-trimethylsilane
PubChem CID24886629
Molecular FormulaC20H30O2Si
Molecular Weight330.54 g/mol
Exact Mass330.20
IUPAC Name(5,5-dimethyl-6-phenylmethoxyoct-7-en-1-yn-3-yl)oxy-trimethylsilane
SMILESC#CC(CC(C)(C)C(C=C)OCc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C20H30O2Si/c1-8-18(22-23(5,6)7)15-20(3,4)19(9-2)21-16-17-13-11-10-12-14-17/h1,9-14,18-19H,2,15-16H2,3-7H3
InChIKeyRYFFRPLFRDUVBE-UHFFFAOYSA-N
XLogP5.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.54
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

penta-1,4-dien-3-yloxymethylbenzene
CID 102250646
tert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333549
tert-butyl-dimethyl-[(2S,3S)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333550
tert-butyl-dimethyl-[(3S,4S)-4-phenylmethoxypent-1-en-3-yl]oxysilane
CID 138976638
[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
[(1R)-1-methoxyprop-2-enoxy]methylbenzene
CID 126647784
[(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1S)-1-phenylmethoxyprop-2-ynyl]pent-4-enoxy]methylbenzene
CID 11082024
4-methylpent-1-en-3-yloxymethylbenzene
CID 14644024
[(3S)-2,2-dimethyl-3-phenylmethoxypent-4-enyl] 3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonate
CID 86628879
(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-ol
CID 101470111
[(1R,2R,3S)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylhex-5-ynoxy]-tert-butyl-dimethylsilane
CID 139993023
4,4-dimethylpent-1-en-3-yloxy(trimethyl)silane
CID 13307468

Frequently Asked Questions

What is the IUPAC name of (5,5-dimethyl-6-phenylmethoxyoct-7-en-1-yn-3-yl)oxy-trimethylsilane?
The IUPAC name of (5,5-dimethyl-6-phenylmethoxyoct-7-en-1-yn-3-yl)oxy-trimethylsilane (CID 24886629) is (5,5-dimethyl-6-phenylmethoxyoct-7-en-1-yn-3-yl)oxy-trimethylsilane.
What is the SMILES notation for (5,5-dimethyl-6-phenylmethoxyoct-7-en-1-yn-3-yl)oxy-trimethylsilane?
The canonical SMILES for (5,5-dimethyl-6-phenylmethoxyoct-7-en-1-yn-3-yl)oxy-trimethylsilane is C#CC(CC(C)(C)C(C=C)OCc1ccccc1)O[Si](C)(C)C.
What is the InChIKey of (5,5-dimethyl-6-phenylmethoxyoct-7-en-1-yn-3-yl)oxy-trimethylsilane?
The InChIKey is RYFFRPLFRDUVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O2Si/c1-8-18(22-23(5,6)7)15-20(3,4)19(9-2)21-16-17-13-11-10-12-14-17/h1,9-14,18-19H,2,15-16H2,3-7H3.
What are the key properties of (5,5-dimethyl-6-phenylmethoxyoct-7-en-1-yn-3-yl)oxy-trimethylsilane?
(5,5-dimethyl-6-phenylmethoxyoct-7-en-1-yn-3-yl)oxy-trimethylsilane has a molecular weight of 330.54 g/mol, XLogP of 5.03, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethyl-6-phenylmethoxyoct-7-en-1-yn-3-yl)oxy-trimethylsilane is sourced from PubChem (CID 24886629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).