[3,4,5-tris[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]methanol

C34H68O7Si3 — CID 68503107

IUPAC[3,4,5-tris[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]methanol
SMILESCC(C)(C)[Si](C)(C)OCCCOc1cc(CO)cc(OCCCO[Si](C)(C)C(C)(C)C)c1OCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H68O7Si3/c1-32(2,3)42(10,11)39-22-16-19-36-29-25-28(27-35)26-30(37-20-17-23-40-43(12,13)33(4,5)6)31(29)38-21-18-24-41-44(14,15)34(7,8)9/h25-26,35H,16-24,27H2,1-15H3
InChIKeyFFGZJCZRHSQROB-UHFFFAOYSA-N
MW673.17 g/mol
LogP9.55
Rot. Bonds19

About [3,4,5-tris[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]methanol

[3,4,5-tris[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]methanol (PubChem CID 68503107) has the molecular formula C34H68O7Si3 and a molecular weight of 673.17 g/mol. Its IUPAC name is [3,4,5-tris[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]methanol.

Molecular Properties

Compound Name[3,4,5-tris[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]methanol
PubChem CID68503107
Molecular FormulaC34H68O7Si3
Molecular Weight673.17 g/mol
Exact Mass672.43
IUPAC Name[3,4,5-tris[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]methanol
SMILESCC(C)(C)[Si](C)(C)OCCCOc1cc(CO)cc(OCCCO[Si](C)(C)C(C)(C)C)c1OCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H68O7Si3/c1-32(2,3)42(10,11)39-22-16-19-36-29-25-28(27-35)26-30(37-20-17-23-40-43(12,13)33(4,5)6)31(29)38-21-18-24-41-44(14,15)34(7,8)9/h25-26,35H,16-24,27H2,1-15H3
InChIKeyFFGZJCZRHSQROB-UHFFFAOYSA-N
XLogP9.55
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.17
LogP ≤ 59.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 [3,4,5-tris[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]methanol?
The IUPAC name of [3,4,5-tris[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]methanol (CID 68503107) is [3,4,5-tris[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]methanol.
What is the SMILES notation for [3,4,5-tris[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]methanol?
The canonical SMILES for [3,4,5-tris[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]methanol is CC(C)(C)[Si](C)(C)OCCCOc1cc(CO)cc(OCCCO[Si](C)(C)C(C)(C)C)c1OCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [3,4,5-tris[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]methanol?
The InChIKey is FFGZJCZRHSQROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H68O7Si3/c1-32(2,3)42(10,11)39-22-16-19-36-29-25-28(27-35)26-30(37-20-17-23-40-43(12,13)33(4,5)6)31(29)38-21-18-24-41-44(14,15)34(7,8)9/h25-26,35H,16-24,27H2,1-15H3.
What are the key properties of [3,4,5-tris[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]methanol?
[3,4,5-tris[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]methanol has a molecular weight of 673.17 g/mol, XLogP of 9.55, 19 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4,5-tris[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]methanol is sourced from PubChem (CID 68503107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).