2-[5-[[4-(ethoxymethyl)phenyl]-diethylsilyl]oxypent-1-enyl]-4-methoxyphenol

C25H36O4Si — CID 72610012

IUPAC2-[5-[[4-(ethoxymethyl)phenyl]-diethylsilyl]oxypent-1-enyl]-4-methoxyphenol
SMILESCCOCc1ccc([Si](CC)(CC)OCCCC=Cc2cc(OC)ccc2O)cc1
InChIInChI=1S/C25H36O4Si/c1-5-28-20-21-12-15-24(16-13-21)30(6-2,7-3)29-18-10-8-9-11-22-19-23(27-4)14-17-25(22)26/h9,11-17,19,26H,5-8,10,18,20H2,1-4H3
InChIKeyNBDGRVSAFWVYMB-UHFFFAOYSA-N
MW428.65 g/mol
LogP5.64
Rot. Bonds13

About 2-[5-[[4-(ethoxymethyl)phenyl]-diethylsilyl]oxypent-1-enyl]-4-methoxyphenol

2-[5-[[4-(ethoxymethyl)phenyl]-diethylsilyl]oxypent-1-enyl]-4-methoxyphenol (PubChem CID 72610012) has the molecular formula C25H36O4Si and a molecular weight of 428.65 g/mol. Its IUPAC name is 2-[5-[[4-(ethoxymethyl)phenyl]-diethylsilyl]oxypent-1-enyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[5-[[4-(ethoxymethyl)phenyl]-diethylsilyl]oxypent-1-enyl]-4-methoxyphenol
PubChem CID72610012
Molecular FormulaC25H36O4Si
Molecular Weight428.65 g/mol
Exact Mass428.24
IUPAC Name2-[5-[[4-(ethoxymethyl)phenyl]-diethylsilyl]oxypent-1-enyl]-4-methoxyphenol
SMILESCCOCc1ccc([Si](CC)(CC)OCCCC=Cc2cc(OC)ccc2O)cc1
InChIInChI=1S/C25H36O4Si/c1-5-28-20-21-12-15-24(16-13-21)30(6-2,7-3)29-18-10-8-9-11-22-19-23(27-4)14-17-25(22)26/h9,11-17,19,26H,5-8,10,18,20H2,1-4H3
InChIKeyNBDGRVSAFWVYMB-UHFFFAOYSA-N
XLogP5.64
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.65
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-5-hydroxypent-1-enyl]-4-methoxyphenol
CID 59969522
2-(3-hydroxyprop-1-enyl)-4-methoxyphenol
CID 169453185
4-(2-hydroxy-5-methoxyphenyl)but-3-enenitrile
CID 170799520
ethyl (E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 12536283
2,4-dimethoxy-1-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]benzene
CID 11174476
ethyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 85440976
butyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 70069057
(E)-5-(2,5-dimethoxyphenyl)pent-4-en-1-amine
CID 95444282
S-[3-(2-hydroxy-5-methoxyphenyl)prop-2-enyl] ethanethioate
CID 169457045
2-methoxy-4-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]phenol
CID 140835234
4-(2,5-dimethoxyphenyl)but-3-en-1-ol
CID 170476817
4-(2-hydroxy-5-methoxyphenyl)but-3-en-2-one
CID 67020173

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-(ethoxymethyl)phenyl]-diethylsilyl]oxypent-1-enyl]-4-methoxyphenol?
The IUPAC name of 2-[5-[[4-(ethoxymethyl)phenyl]-diethylsilyl]oxypent-1-enyl]-4-methoxyphenol (CID 72610012) is 2-[5-[[4-(ethoxymethyl)phenyl]-diethylsilyl]oxypent-1-enyl]-4-methoxyphenol.
What is the SMILES notation for 2-[5-[[4-(ethoxymethyl)phenyl]-diethylsilyl]oxypent-1-enyl]-4-methoxyphenol?
The canonical SMILES for 2-[5-[[4-(ethoxymethyl)phenyl]-diethylsilyl]oxypent-1-enyl]-4-methoxyphenol is CCOCc1ccc([Si](CC)(CC)OCCCC=Cc2cc(OC)ccc2O)cc1.
What is the InChIKey of 2-[5-[[4-(ethoxymethyl)phenyl]-diethylsilyl]oxypent-1-enyl]-4-methoxyphenol?
The InChIKey is NBDGRVSAFWVYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O4Si/c1-5-28-20-21-12-15-24(16-13-21)30(6-2,7-3)29-18-10-8-9-11-22-19-23(27-4)14-17-25(22)26/h9,11-17,19,26H,5-8,10,18,20H2,1-4H3.
What are the key properties of 2-[5-[[4-(ethoxymethyl)phenyl]-diethylsilyl]oxypent-1-enyl]-4-methoxyphenol?
2-[5-[[4-(ethoxymethyl)phenyl]-diethylsilyl]oxypent-1-enyl]-4-methoxyphenol has a molecular weight of 428.65 g/mol, XLogP of 5.64, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[4-(ethoxymethyl)phenyl]-diethylsilyl]oxypent-1-enyl]-4-methoxyphenol is sourced from PubChem (CID 72610012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).