1-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-methylnona-2,3-dien-5-ol

C32H50O3Si2 — CID 10482384

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-methylnona-2,3-dien-5-ol
SMILESCC(=C=CCO[Si](C)(C)C(C)(C)C)C(O)CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H50O3Si2/c1-27(19-18-26-34-36(8,9)31(2,3)4)30(33)24-16-17-25-35-37(32(5,6)7,28-20-12-10-13-21-28)29-22-14-11-15-23-29/h10-15,18,20-23,30,33H,16-17,24-26H2,1-9H3
InChIKeyNACUKIMTYNLMHK-UHFFFAOYSA-N
MW538.92 g/mol
LogP7.22
Rot. Bonds12

About 1-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-methylnona-2,3-dien-5-ol

1-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-methylnona-2,3-dien-5-ol (PubChem CID 10482384) has the molecular formula C32H50O3Si2 and a molecular weight of 538.92 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-methylnona-2,3-dien-5-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-methylnona-2,3-dien-5-ol
PubChem CID10482384
Molecular FormulaC32H50O3Si2
Molecular Weight538.92 g/mol
Exact Mass538.33
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-methylnona-2,3-dien-5-ol
SMILESCC(=C=CCO[Si](C)(C)C(C)(C)C)C(O)CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H50O3Si2/c1-27(19-18-26-34-36(8,9)31(2,3)4)30(33)24-16-17-25-35-37(32(5,6)7,28-20-12-10-13-21-28)29-22-14-11-15-23-29/h10-15,18,20-23,30,33H,16-17,24-26H2,1-9H3
InChIKeyNACUKIMTYNLMHK-UHFFFAOYSA-N
XLogP7.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.92
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-methylnona-2,3-dien-5-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-methylnona-2,3-dien-5-ol (CID 10482384) is 1-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-methylnona-2,3-dien-5-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-methylnona-2,3-dien-5-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-methylnona-2,3-dien-5-ol is CC(=C=CCO[Si](C)(C)C(C)(C)C)C(O)CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-methylnona-2,3-dien-5-ol?
The InChIKey is NACUKIMTYNLMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50O3Si2/c1-27(19-18-26-34-36(8,9)31(2,3)4)30(33)24-16-17-25-35-37(32(5,6)7,28-20-12-10-13-21-28)29-22-14-11-15-23-29/h10-15,18,20-23,30,33H,16-17,24-26H2,1-9H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-methylnona-2,3-dien-5-ol?
1-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-methylnona-2,3-dien-5-ol has a molecular weight of 538.92 g/mol, XLogP of 7.22, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-methylnona-2,3-dien-5-ol is sourced from PubChem (CID 10482384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).