2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol

C24H40O4Si3 — CID 18737380

IUPAC2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol
SMILESC[Si](C)(CCCc1ccccc1O)O[Si](C)(C)O[Si](C)(C)CCCc1ccccc1O
InChIInChI=1S/C24H40O4Si3/c1-29(2,19-11-15-21-13-7-9-17-23(21)25)27-31(5,6)28-30(3,4)20-12-16-22-14-8-10-18-24(22)26/h7-10,13-14,17-18,25-26H,11-12,15-16,19-20H2,1-6H3
InChIKeyDOICITLAIJTWRV-UHFFFAOYSA-N
MW476.84 g/mol
LogP6.81
Rot. Bonds12

About 2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol

2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol (PubChem CID 18737380) has the molecular formula C24H40O4Si3 and a molecular weight of 476.84 g/mol. Its IUPAC name is 2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol.

Molecular Properties

Compound Name2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol
PubChem CID18737380
Molecular FormulaC24H40O4Si3
Molecular Weight476.84 g/mol
Exact Mass476.22
IUPAC Name2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol
SMILESC[Si](C)(CCCc1ccccc1O)O[Si](C)(C)O[Si](C)(C)CCCc1ccccc1O
InChIInChI=1S/C24H40O4Si3/c1-29(2,19-11-15-21-13-7-9-17-23(21)25)27-31(5,6)28-30(3,4)20-12-16-22-14-8-10-18-24(22)26/h7-10,13-14,17-18,25-26H,11-12,15-16,19-20H2,1-6H3
InChIKeyDOICITLAIJTWRV-UHFFFAOYSA-N
XLogP6.81
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.84
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol?
The IUPAC name of 2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol (CID 18737380) is 2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol.
What is the SMILES notation for 2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol?
The canonical SMILES for 2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol is C[Si](C)(CCCc1ccccc1O)O[Si](C)(C)O[Si](C)(C)CCCc1ccccc1O.
What is the InChIKey of 2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol?
The InChIKey is DOICITLAIJTWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O4Si3/c1-29(2,19-11-15-21-13-7-9-17-23(21)25)27-31(5,6)28-30(3,4)20-12-16-22-14-8-10-18-24(22)26/h7-10,13-14,17-18,25-26H,11-12,15-16,19-20H2,1-6H3.
What are the key properties of 2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol?
2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol has a molecular weight of 476.84 g/mol, XLogP of 6.81, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol is sourced from PubChem (CID 18737380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).