2-[4-(butoxymethyl)phenyl]ethyl-[2-[4-(butoxymethyl)phenyl]ethyl-dimethylsilyl]oxy-dimethylsilane

C30H50O3Si2 — CID 67801522

IUPAC2-[4-(butoxymethyl)phenyl]ethyl-[2-[4-(butoxymethyl)phenyl]ethyl-dimethylsilyl]oxy-dimethylsilane
SMILESCCCCOCc1ccc(CC[Si](C)(C)O[Si](C)(C)CCc2ccc(COCCCC)cc2)cc1
InChIInChI=1S/C30H50O3Si2/c1-7-9-21-31-25-29-15-11-27(12-16-29)19-23-34(3,4)33-35(5,6)24-20-28-13-17-30(18-14-28)26-32-22-10-8-2/h11-18H,7-10,19-26H2,1-6H3
InChIKeyHHNQKYAVWLNYNM-UHFFFAOYSA-N
MW514.90 g/mol
LogP8.53
Rot. Bonds18

About 2-[4-(butoxymethyl)phenyl]ethyl-[2-[4-(butoxymethyl)phenyl]ethyl-dimethylsilyl]oxy-dimethylsilane

2-[4-(butoxymethyl)phenyl]ethyl-[2-[4-(butoxymethyl)phenyl]ethyl-dimethylsilyl]oxy-dimethylsilane (PubChem CID 67801522) has the molecular formula C30H50O3Si2 and a molecular weight of 514.90 g/mol. Its IUPAC name is 2-[4-(butoxymethyl)phenyl]ethyl-[2-[4-(butoxymethyl)phenyl]ethyl-dimethylsilyl]oxy-dimethylsilane.

Molecular Properties

Compound Name2-[4-(butoxymethyl)phenyl]ethyl-[2-[4-(butoxymethyl)phenyl]ethyl-dimethylsilyl]oxy-dimethylsilane
PubChem CID67801522
Molecular FormulaC30H50O3Si2
Molecular Weight514.90 g/mol
Exact Mass514.33
IUPAC Name2-[4-(butoxymethyl)phenyl]ethyl-[2-[4-(butoxymethyl)phenyl]ethyl-dimethylsilyl]oxy-dimethylsilane
SMILESCCCCOCc1ccc(CC[Si](C)(C)O[Si](C)(C)CCc2ccc(COCCCC)cc2)cc1
InChIInChI=1S/C30H50O3Si2/c1-7-9-21-31-25-29-15-11-27(12-16-29)19-23-34(3,4)33-35(5,6)24-20-28-13-17-30(18-14-28)26-32-22-10-8-2/h11-18H,7-10,19-26H2,1-6H3
InChIKeyHHNQKYAVWLNYNM-UHFFFAOYSA-N
XLogP8.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.90
LogP ≤ 58.53
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'}

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Related Compounds

2-[4-(2-butoxyethoxymethyl)phenyl]-N-methylethanamine
CID 105349652
1-butyl-4-[(4-butylphenyl)methoxymethyl]benzene
CID 21471119
[4-(heptoxymethyl)phenyl]-trimethylsilane
CID 103438642
butoxymethylbenzene;ethane
CID 145341806
1-(butoxymethyl)-4-methylsulfanylbenzene
CID 54189278
lithium;butoxymethylbenzene;hydride
CID 175482454
1-methoxy-4-(octoxymethyl)benzene
CID 11288168
1-butyl-4-(2-phenylmethoxyethyl)benzene
CID 137452332
1-decyl-4-[(4-decylphenyl)methoxymethyl]benzene
CID 154488983
1-methyl-4-(octoxymethyl)benzene
CID 86156710
4-(hexoxymethyl)phenol
CID 14816980
1-[4-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine
CID 62457147

Frequently Asked Questions

What is the IUPAC name of 2-[4-(butoxymethyl)phenyl]ethyl-[2-[4-(butoxymethyl)phenyl]ethyl-dimethylsilyl]oxy-dimethylsilane?
The IUPAC name of 2-[4-(butoxymethyl)phenyl]ethyl-[2-[4-(butoxymethyl)phenyl]ethyl-dimethylsilyl]oxy-dimethylsilane (CID 67801522) is 2-[4-(butoxymethyl)phenyl]ethyl-[2-[4-(butoxymethyl)phenyl]ethyl-dimethylsilyl]oxy-dimethylsilane.
What is the SMILES notation for 2-[4-(butoxymethyl)phenyl]ethyl-[2-[4-(butoxymethyl)phenyl]ethyl-dimethylsilyl]oxy-dimethylsilane?
The canonical SMILES for 2-[4-(butoxymethyl)phenyl]ethyl-[2-[4-(butoxymethyl)phenyl]ethyl-dimethylsilyl]oxy-dimethylsilane is CCCCOCc1ccc(CC[Si](C)(C)O[Si](C)(C)CCc2ccc(COCCCC)cc2)cc1.
What is the InChIKey of 2-[4-(butoxymethyl)phenyl]ethyl-[2-[4-(butoxymethyl)phenyl]ethyl-dimethylsilyl]oxy-dimethylsilane?
The InChIKey is HHNQKYAVWLNYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50O3Si2/c1-7-9-21-31-25-29-15-11-27(12-16-29)19-23-34(3,4)33-35(5,6)24-20-28-13-17-30(18-14-28)26-32-22-10-8-2/h11-18H,7-10,19-26H2,1-6H3.
What are the key properties of 2-[4-(butoxymethyl)phenyl]ethyl-[2-[4-(butoxymethyl)phenyl]ethyl-dimethylsilyl]oxy-dimethylsilane?
2-[4-(butoxymethyl)phenyl]ethyl-[2-[4-(butoxymethyl)phenyl]ethyl-dimethylsilyl]oxy-dimethylsilane has a molecular weight of 514.90 g/mol, XLogP of 8.53, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(butoxymethyl)phenyl]ethyl-[2-[4-(butoxymethyl)phenyl]ethyl-dimethylsilyl]oxy-dimethylsilane is sourced from PubChem (CID 67801522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).