(2E,4E,7S)-7-[tert-butyl(diphenyl)silyl]oxynona-2,4-dien-8-yn-1-ol

C25H30O2Si — CID 99772953

IUPAC(2E,4E,7S)-7-[tert-butyl(diphenyl)silyl]oxynona-2,4-dien-8-yn-1-ol
SMILESC#C[C@H](C/C=C/C=C/CO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H30O2Si/c1-5-22(16-10-6-7-15-21-26)27-28(25(2,3)4,23-17-11-8-12-18-23)24-19-13-9-14-20-24/h1,6-15,17-20,22,26H,16,21H2,2-4H3/b10-6+,15-7+/t22-/m1/s1
InChIKeyXGHNQRVQFCNNEM-OUVYXGRJSA-N
MW390.60 g/mol
LogP4.06
Rot. Bonds8

About (2E,4E,7S)-7-[tert-butyl(diphenyl)silyl]oxynona-2,4-dien-8-yn-1-ol

(2E,4E,7S)-7-[tert-butyl(diphenyl)silyl]oxynona-2,4-dien-8-yn-1-ol (PubChem CID 99772953) has the molecular formula C25H30O2Si and a molecular weight of 390.60 g/mol. Its IUPAC name is (2E,4E,7S)-7-[tert-butyl(diphenyl)silyl]oxynona-2,4-dien-8-yn-1-ol.

Molecular Properties

Compound Name(2E,4E,7S)-7-[tert-butyl(diphenyl)silyl]oxynona-2,4-dien-8-yn-1-ol
PubChem CID99772953
Molecular FormulaC25H30O2Si
Molecular Weight390.60 g/mol
Exact Mass390.20
IUPAC Name(2E,4E,7S)-7-[tert-butyl(diphenyl)silyl]oxynona-2,4-dien-8-yn-1-ol
SMILESC#C[C@H](C/C=C/C=C/CO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H30O2Si/c1-5-22(16-10-6-7-15-21-26)27-28(25(2,3)4,23-17-11-8-12-18-23)24-19-13-9-14-20-24/h1,6-15,17-20,22,26H,16,21H2,2-4H3/b10-6+,15-7+/t22-/m1/s1
InChIKeyXGHNQRVQFCNNEM-OUVYXGRJSA-N
XLogP4.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.60
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-diphenyl-(5-phenylpent-1-yn-3-yloxy)silane
CID 135013582
(E)-4-[tert-butyl(diphenyl)silyl]oxyhept-2-ene-1,7-diol
CID 177462583
tert-butyl-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-yl]oxy-diphenylsilane
CID 155932039
tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-yn-3-yl]oxysilane
CID 134872566
(3R,5R)-1,5-bis[[tert-butyl(diphenyl)silyl]oxy]hept-6-yn-3-ol
CID 11342574
tert-butyl-[(2S)-pent-4-yn-2-yl]oxy-diphenylsilane
CID 59466777
tert-butyl-[(2Z,7Z)-nona-2,7-dien-5-yl]oxy-diphenylsilane
CID 58139640
tert-butyl-[(E,3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxy-diphenylsilane
CID 10713704
2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol
CID 102368876
tert-butyl-[(Z,6S)-6-methoxy-2-methyloct-2-en-7-ynoxy]-diphenylsilane
CID 53375456
(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanal
CID 10936306
(Z)-19-[tert-butyl(diphenyl)silyl]oxyicos-5-en-1-ol
CID 153316559

Frequently Asked Questions

What is the IUPAC name of (2E,4E,7S)-7-[tert-butyl(diphenyl)silyl]oxynona-2,4-dien-8-yn-1-ol?
The IUPAC name of (2E,4E,7S)-7-[tert-butyl(diphenyl)silyl]oxynona-2,4-dien-8-yn-1-ol (CID 99772953) is (2E,4E,7S)-7-[tert-butyl(diphenyl)silyl]oxynona-2,4-dien-8-yn-1-ol.
What is the SMILES notation for (2E,4E,7S)-7-[tert-butyl(diphenyl)silyl]oxynona-2,4-dien-8-yn-1-ol?
The canonical SMILES for (2E,4E,7S)-7-[tert-butyl(diphenyl)silyl]oxynona-2,4-dien-8-yn-1-ol is C#C[C@H](C/C=C/C=C/CO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2E,4E,7S)-7-[tert-butyl(diphenyl)silyl]oxynona-2,4-dien-8-yn-1-ol?
The InChIKey is XGHNQRVQFCNNEM-OUVYXGRJSA-N. The full InChI is InChI=1S/C25H30O2Si/c1-5-22(16-10-6-7-15-21-26)27-28(25(2,3)4,23-17-11-8-12-18-23)24-19-13-9-14-20-24/h1,6-15,17-20,22,26H,16,21H2,2-4H3/b10-6+,15-7+/t22-/m1/s1.
What are the key properties of (2E,4E,7S)-7-[tert-butyl(diphenyl)silyl]oxynona-2,4-dien-8-yn-1-ol?
(2E,4E,7S)-7-[tert-butyl(diphenyl)silyl]oxynona-2,4-dien-8-yn-1-ol has a molecular weight of 390.60 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,7S)-7-[tert-butyl(diphenyl)silyl]oxynona-2,4-dien-8-yn-1-ol is sourced from PubChem (CID 99772953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).