8-[2-[(4-methoxyphenyl)methoxy]ethyl]heptadecoxy-diphenylsilane

C39H58O3Si — CID 175492494

IUPAC8-[2-[(4-methoxyphenyl)methoxy]ethyl]heptadecoxy-diphenylsilane
SMILESCCCCCCCCCC(CCCCCCCO[SiH](c1ccccc1)c1ccccc1)CCOCc1ccc(OC)cc1
InChIInChI=1S/C39H58O3Si/c1-3-4-5-6-7-9-14-21-35(31-33-41-34-36-27-29-37(40-2)30-28-36)22-15-10-8-11-20-32-42-43(38-23-16-12-17-24-38)39-25-18-13-19-26-39/h12-13,16-19,23-30,35,43H,3-11,14-15,20-22,31-34H2,1-2H3
InChIKeyUDOXDSQEDUHYGO-UHFFFAOYSA-N
MW602.98 g/mol
LogP9.25
Rot. Bonds25

About 8-[2-[(4-methoxyphenyl)methoxy]ethyl]heptadecoxy-diphenylsilane

8-[2-[(4-methoxyphenyl)methoxy]ethyl]heptadecoxy-diphenylsilane (PubChem CID 175492494) has the molecular formula C39H58O3Si and a molecular weight of 602.98 g/mol. Its IUPAC name is 8-[2-[(4-methoxyphenyl)methoxy]ethyl]heptadecoxy-diphenylsilane.

Molecular Properties

Compound Name8-[2-[(4-methoxyphenyl)methoxy]ethyl]heptadecoxy-diphenylsilane
PubChem CID175492494
Molecular FormulaC39H58O3Si
Molecular Weight602.98 g/mol
Exact Mass602.42
IUPAC Name8-[2-[(4-methoxyphenyl)methoxy]ethyl]heptadecoxy-diphenylsilane
SMILESCCCCCCCCCC(CCCCCCCO[SiH](c1ccccc1)c1ccccc1)CCOCc1ccc(OC)cc1
InChIInChI=1S/C39H58O3Si/c1-3-4-5-6-7-9-14-21-35(31-33-41-34-36-27-29-37(40-2)30-28-36)22-15-10-8-11-20-32-42-43(38-23-16-12-17-24-38)39-25-18-13-19-26-39/h12-13,16-19,23-30,35,43H,3-11,14-15,20-22,31-34H2,1-2H3
InChIKeyUDOXDSQEDUHYGO-UHFFFAOYSA-N
XLogP9.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.98
LogP ≤ 59.25
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 8-[2-[(4-methoxyphenyl)methoxy]ethyl]heptadecoxy-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

12-[2-[(4-methoxyphenyl)methoxy]ethyl]henicosoxy-diphenylsilane
CID 175492502
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 8-[2-[(4-methoxyphenyl)methoxy]ethyl]heptadecoxy-diphenylsilane?
The IUPAC name of 8-[2-[(4-methoxyphenyl)methoxy]ethyl]heptadecoxy-diphenylsilane (CID 175492494) is 8-[2-[(4-methoxyphenyl)methoxy]ethyl]heptadecoxy-diphenylsilane.
What is the SMILES notation for 8-[2-[(4-methoxyphenyl)methoxy]ethyl]heptadecoxy-diphenylsilane?
The canonical SMILES for 8-[2-[(4-methoxyphenyl)methoxy]ethyl]heptadecoxy-diphenylsilane is CCCCCCCCCC(CCCCCCCO[SiH](c1ccccc1)c1ccccc1)CCOCc1ccc(OC)cc1.
What is the InChIKey of 8-[2-[(4-methoxyphenyl)methoxy]ethyl]heptadecoxy-diphenylsilane?
The InChIKey is UDOXDSQEDUHYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H58O3Si/c1-3-4-5-6-7-9-14-21-35(31-33-41-34-36-27-29-37(40-2)30-28-36)22-15-10-8-11-20-32-42-43(38-23-16-12-17-24-38)39-25-18-13-19-26-39/h12-13,16-19,23-30,35,43H,3-11,14-15,20-22,31-34H2,1-2H3.
What are the key properties of 8-[2-[(4-methoxyphenyl)methoxy]ethyl]heptadecoxy-diphenylsilane?
8-[2-[(4-methoxyphenyl)methoxy]ethyl]heptadecoxy-diphenylsilane has a molecular weight of 602.98 g/mol, XLogP of 9.25, 25 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[(4-methoxyphenyl)methoxy]ethyl]heptadecoxy-diphenylsilane is sourced from PubChem (CID 175492494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).