4-[1-(5-methoxypentyl)-1-phenylsilinan-4-yl]phenol

C23H32O2Si — CID 19956732

IUPAC4-[1-(5-methoxypentyl)-1-phenylsilinan-4-yl]phenol
SMILESCOCCCCC[Si]1(c2ccccc2)CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C23H32O2Si/c1-25-16-6-3-7-17-26(23-8-4-2-5-9-23)18-14-21(15-19-26)20-10-12-22(24)13-11-20/h2,4-5,8-13,21,24H,3,6-7,14-19H2,1H3
InChIKeyUTLPBQAOTHIDLY-UHFFFAOYSA-N
MW368.59 g/mol
LogP5.44
Rot. Bonds8

About 4-[1-(5-methoxypentyl)-1-phenylsilinan-4-yl]phenol

4-[1-(5-methoxypentyl)-1-phenylsilinan-4-yl]phenol (PubChem CID 19956732) has the molecular formula C23H32O2Si and a molecular weight of 368.59 g/mol. Its IUPAC name is 4-[1-(5-methoxypentyl)-1-phenylsilinan-4-yl]phenol.

Molecular Properties

Compound Name4-[1-(5-methoxypentyl)-1-phenylsilinan-4-yl]phenol
PubChem CID19956732
Molecular FormulaC23H32O2Si
Molecular Weight368.59 g/mol
Exact Mass368.22
IUPAC Name4-[1-(5-methoxypentyl)-1-phenylsilinan-4-yl]phenol
SMILESCOCCCCC[Si]1(c2ccccc2)CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C23H32O2Si/c1-25-16-6-3-7-17-26(23-8-4-2-5-9-23)18-14-21(15-19-26)20-10-12-22(24)13-11-20/h2,4-5,8-13,21,24H,3,6-7,14-19H2,1H3
InChIKeyUTLPBQAOTHIDLY-UHFFFAOYSA-N
XLogP5.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.59
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-[1-(5-methoxypentyl)-1-phenylsilinan-4-yl]phenol?
The IUPAC name of 4-[1-(5-methoxypentyl)-1-phenylsilinan-4-yl]phenol (CID 19956732) is 4-[1-(5-methoxypentyl)-1-phenylsilinan-4-yl]phenol.
What is the SMILES notation for 4-[1-(5-methoxypentyl)-1-phenylsilinan-4-yl]phenol?
The canonical SMILES for 4-[1-(5-methoxypentyl)-1-phenylsilinan-4-yl]phenol is COCCCCC[Si]1(c2ccccc2)CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-[1-(5-methoxypentyl)-1-phenylsilinan-4-yl]phenol?
The InChIKey is UTLPBQAOTHIDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2Si/c1-25-16-6-3-7-17-26(23-8-4-2-5-9-23)18-14-21(15-19-26)20-10-12-22(24)13-11-20/h2,4-5,8-13,21,24H,3,6-7,14-19H2,1H3.
What are the key properties of 4-[1-(5-methoxypentyl)-1-phenylsilinan-4-yl]phenol?
4-[1-(5-methoxypentyl)-1-phenylsilinan-4-yl]phenol has a molecular weight of 368.59 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-methoxypentyl)-1-phenylsilinan-4-yl]phenol is sourced from PubChem (CID 19956732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).