12-[2-[(4-methoxyphenyl)methoxy]ethyl]henicosoxy-diphenylsilane

C43H66O3Si — CID 175492502

IUPAC12-[2-[(4-methoxyphenyl)methoxy]ethyl]henicosoxy-diphenylsilane
SMILESCCCCCCCCCC(CCCCCCCCCCCO[SiH](c1ccccc1)c1ccccc1)CCOCc1ccc(OC)cc1
InChIInChI=1S/C43H66O3Si/c1-3-4-5-6-10-13-18-25-39(35-37-45-38-40-31-33-41(44-2)34-32-40)26-19-14-11-8-7-9-12-15-24-36-46-47(42-27-20-16-21-28-42)43-29-22-17-23-30-43/h16-17,20-23,27-34,39,47H,3-15,18-19,24-26,35-38H2,1-2H3
InChIKeyCRUGRKWSWKMFFK-UHFFFAOYSA-N
MW659.08 g/mol
LogP10.81
Rot. Bonds29

About 12-[2-[(4-methoxyphenyl)methoxy]ethyl]henicosoxy-diphenylsilane

12-[2-[(4-methoxyphenyl)methoxy]ethyl]henicosoxy-diphenylsilane (PubChem CID 175492502) has the molecular formula C43H66O3Si and a molecular weight of 659.08 g/mol. Its IUPAC name is 12-[2-[(4-methoxyphenyl)methoxy]ethyl]henicosoxy-diphenylsilane.

Molecular Properties

Compound Name12-[2-[(4-methoxyphenyl)methoxy]ethyl]henicosoxy-diphenylsilane
PubChem CID175492502
Molecular FormulaC43H66O3Si
Molecular Weight659.08 g/mol
Exact Mass658.48
IUPAC Name12-[2-[(4-methoxyphenyl)methoxy]ethyl]henicosoxy-diphenylsilane
SMILESCCCCCCCCCC(CCCCCCCCCCCO[SiH](c1ccccc1)c1ccccc1)CCOCc1ccc(OC)cc1
InChIInChI=1S/C43H66O3Si/c1-3-4-5-6-10-13-18-25-39(35-37-45-38-40-31-33-41(44-2)34-32-40)26-19-14-11-8-7-9-12-15-24-36-46-47(42-27-20-16-21-28-42)43-29-22-17-23-30-43/h16-17,20-23,27-34,39,47H,3-15,18-19,24-26,35-38H2,1-2H3
InChIKeyCRUGRKWSWKMFFK-UHFFFAOYSA-N
XLogP10.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds29
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.08
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 12-[2-[(4-methoxyphenyl)methoxy]ethyl]henicosoxy-diphenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[2-[(4-methoxyphenyl)methoxy]ethyl]heptadecoxy-diphenylsilane
CID 175492494
12-[2-[(4-methoxyphenyl)methoxy]ethyl]henicosanoic acid
CID 169097964
1-methoxy-4-(octoxymethyl)benzene
CID 11288168
1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
CID 101026265
6-[(4-methoxyphenyl)methoxy]hexyl-triphenylphosphanium bromide
CID 10602993
(3S)-1-[(4-methoxyphenyl)methoxy]dodec-5-yn-3-ol
CID 66561845
1-[[(2R)-2-iodododecoxy]methyl]-4-methoxybenzene
CID 101441069
azane;hexoxymethylbenzene
CID 174805489
(3R,4S)-3-amino-1-phenylmethoxyoctadecan-4-ol
CID 101228640
(3S,4S)-3-amino-1-phenylmethoxyoctadecan-4-ol
CID 101228641
azane;(1R)-1-(4-methoxyphenyl)-3-phenylmethoxypropan-1-amine
CID 69422231
1-methoxy-4-[[4-(2-propylnonyl)phenoxy]methyl]benzene
CID 142632649

Frequently Asked Questions

What is the IUPAC name of 12-[2-[(4-methoxyphenyl)methoxy]ethyl]henicosoxy-diphenylsilane?
The IUPAC name of 12-[2-[(4-methoxyphenyl)methoxy]ethyl]henicosoxy-diphenylsilane (CID 175492502) is 12-[2-[(4-methoxyphenyl)methoxy]ethyl]henicosoxy-diphenylsilane.
What is the SMILES notation for 12-[2-[(4-methoxyphenyl)methoxy]ethyl]henicosoxy-diphenylsilane?
The canonical SMILES for 12-[2-[(4-methoxyphenyl)methoxy]ethyl]henicosoxy-diphenylsilane is CCCCCCCCCC(CCCCCCCCCCCO[SiH](c1ccccc1)c1ccccc1)CCOCc1ccc(OC)cc1.
What is the InChIKey of 12-[2-[(4-methoxyphenyl)methoxy]ethyl]henicosoxy-diphenylsilane?
The InChIKey is CRUGRKWSWKMFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H66O3Si/c1-3-4-5-6-10-13-18-25-39(35-37-45-38-40-31-33-41(44-2)34-32-40)26-19-14-11-8-7-9-12-15-24-36-46-47(42-27-20-16-21-28-42)43-29-22-17-23-30-43/h16-17,20-23,27-34,39,47H,3-15,18-19,24-26,35-38H2,1-2H3.
What are the key properties of 12-[2-[(4-methoxyphenyl)methoxy]ethyl]henicosoxy-diphenylsilane?
12-[2-[(4-methoxyphenyl)methoxy]ethyl]henicosoxy-diphenylsilane has a molecular weight of 659.08 g/mol, XLogP of 10.81, 29 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[2-[(4-methoxyphenyl)methoxy]ethyl]henicosoxy-diphenylsilane is sourced from PubChem (CID 175492502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).