(7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl-trimethoxysilane;ethoxymethylbenzene

C22H38O5Si — CID 158945292

IUPAC(7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl-trimethoxysilane;ethoxymethylbenzene
SMILESCCOCc1ccccc1.CO[Si](COC1CC2CCC1C2(C)C)(OC)OC
InChIInChI=1S/C13H26O4Si.C9H12O/c1-13(2)10-6-7-11(13)12(8-10)17-9-18(14-3,15-4)16-5;1-2-10-8-9-6-4-3-5-7-9/h10-12H,6-9H2,1-5H3;3-7H,2,8H2,1H3
InChIKeyJKTCKKASTMFPHQ-UHFFFAOYSA-N
MW410.63 g/mol
LogP4.47
Rot. Bonds9

About (7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl-trimethoxysilane;ethoxymethylbenzene

(7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl-trimethoxysilane;ethoxymethylbenzene (PubChem CID 158945292) has the molecular formula C22H38O5Si and a molecular weight of 410.63 g/mol. Its IUPAC name is (7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl-trimethoxysilane;ethoxymethylbenzene.

Molecular Properties

Compound Name(7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl-trimethoxysilane;ethoxymethylbenzene
PubChem CID158945292
Molecular FormulaC22H38O5Si
Molecular Weight410.63 g/mol
Exact Mass410.25
IUPAC Name(7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl-trimethoxysilane;ethoxymethylbenzene
SMILESCCOCc1ccccc1.CO[Si](COC1CC2CCC1C2(C)C)(OC)OC
InChIInChI=1S/C13H26O4Si.C9H12O/c1-13(2)10-6-7-11(13)12(8-10)17-9-18(14-3,15-4)16-5;1-2-10-8-9-6-4-3-5-7-9/h10-12H,6-9H2,1-5H3;3-7H,2,8H2,1H3
InChIKeyJKTCKKASTMFPHQ-UHFFFAOYSA-N
XLogP4.47
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.63
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl-trimethoxysilane;ethoxymethylbenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl-trimethoxysilane;ethoxymethylbenzene?
The IUPAC name of (7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl-trimethoxysilane;ethoxymethylbenzene (CID 158945292) is (7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl-trimethoxysilane;ethoxymethylbenzene.
What is the SMILES notation for (7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl-trimethoxysilane;ethoxymethylbenzene?
The canonical SMILES for (7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl-trimethoxysilane;ethoxymethylbenzene is CCOCc1ccccc1.CO[Si](COC1CC2CCC1C2(C)C)(OC)OC.
What is the InChIKey of (7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl-trimethoxysilane;ethoxymethylbenzene?
The InChIKey is JKTCKKASTMFPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4Si.C9H12O/c1-13(2)10-6-7-11(13)12(8-10)17-9-18(14-3,15-4)16-5;1-2-10-8-9-6-4-3-5-7-9/h10-12H,6-9H2,1-5H3;3-7H,2,8H2,1H3.
What are the key properties of (7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl-trimethoxysilane;ethoxymethylbenzene?
(7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl-trimethoxysilane;ethoxymethylbenzene has a molecular weight of 410.63 g/mol, XLogP of 4.47, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl-trimethoxysilane;ethoxymethylbenzene is sourced from PubChem (CID 158945292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).