dodecoxy-diethyl-(naphthalen-2-ylmethoxy)silane

C27H44O2Si — CID 91717639

IUPACdodecoxy-diethyl-(naphthalen-2-ylmethoxy)silane
SMILESCCCCCCCCCCCCO[Si](CC)(CC)OCc1ccc2ccccc2c1
InChIInChI=1S/C27H44O2Si/c1-4-7-8-9-10-11-12-13-14-17-22-28-30(5-2,6-3)29-24-25-20-21-26-18-15-16-19-27(26)23-25/h15-16,18-21,23H,4-14,17,22,24H2,1-3H3
InChIKeyPNHQROUQWWZGJT-UHFFFAOYSA-N
MW428.73 g/mol
LogP8.78
Rot. Bonds17

About dodecoxy-diethyl-(naphthalen-2-ylmethoxy)silane

dodecoxy-diethyl-(naphthalen-2-ylmethoxy)silane (PubChem CID 91717639) has the molecular formula C27H44O2Si and a molecular weight of 428.73 g/mol. Its IUPAC name is dodecoxy-diethyl-(naphthalen-2-ylmethoxy)silane.

Molecular Properties

Compound Namedodecoxy-diethyl-(naphthalen-2-ylmethoxy)silane
PubChem CID91717639
Molecular FormulaC27H44O2Si
Molecular Weight428.73 g/mol
Exact Mass428.31
IUPAC Namedodecoxy-diethyl-(naphthalen-2-ylmethoxy)silane
SMILESCCCCCCCCCCCCO[Si](CC)(CC)OCc1ccc2ccccc2c1
InChIInChI=1S/C27H44O2Si/c1-4-7-8-9-10-11-12-13-14-17-22-28-30(5-2,6-3)29-24-25-20-21-26-18-15-16-19-27(26)23-25/h15-16,18-21,23H,4-14,17,22,24H2,1-3H3
InChIKeyPNHQROUQWWZGJT-UHFFFAOYSA-N
XLogP8.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.73
LogP ≤ 58.78
H-Bond Donors ≤ 50
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 dodecoxy-diethyl-(naphthalen-2-ylmethoxy)silane?
The IUPAC name of dodecoxy-diethyl-(naphthalen-2-ylmethoxy)silane (CID 91717639) is dodecoxy-diethyl-(naphthalen-2-ylmethoxy)silane.
What is the SMILES notation for dodecoxy-diethyl-(naphthalen-2-ylmethoxy)silane?
The canonical SMILES for dodecoxy-diethyl-(naphthalen-2-ylmethoxy)silane is CCCCCCCCCCCCO[Si](CC)(CC)OCc1ccc2ccccc2c1.
What is the InChIKey of dodecoxy-diethyl-(naphthalen-2-ylmethoxy)silane?
The InChIKey is PNHQROUQWWZGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44O2Si/c1-4-7-8-9-10-11-12-13-14-17-22-28-30(5-2,6-3)29-24-25-20-21-26-18-15-16-19-27(26)23-25/h15-16,18-21,23H,4-14,17,22,24H2,1-3H3.
What are the key properties of dodecoxy-diethyl-(naphthalen-2-ylmethoxy)silane?
dodecoxy-diethyl-(naphthalen-2-ylmethoxy)silane has a molecular weight of 428.73 g/mol, XLogP of 8.78, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecoxy-diethyl-(naphthalen-2-ylmethoxy)silane is sourced from PubChem (CID 91717639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).