bis[2-[dimethyl(naphthalen-2-ylmethyl)silyl]ethyl] carbonate

C31H38O3Si2 — CID 66645595

IUPACbis[2-[dimethyl(naphthalen-2-ylmethyl)silyl]ethyl] carbonate
SMILESC[Si](C)(CCOC(=O)OCC[Si](C)(C)Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1
InChIInChI=1S/C31H38O3Si2/c1-35(2,23-25-13-15-27-9-5-7-11-29(27)21-25)19-17-33-31(32)34-18-20-36(3,4)24-26-14-16-28-10-6-8-12-30(28)22-26/h5-16,21-22H,17-20,23-24H2,1-4H3
InChIKeyYORDWYKBBDSGLB-UHFFFAOYSA-N
MW514.81 g/mol
LogP8.43
Rot. Bonds10

About bis[2-[dimethyl(naphthalen-2-ylmethyl)silyl]ethyl] carbonate

bis[2-[dimethyl(naphthalen-2-ylmethyl)silyl]ethyl] carbonate (PubChem CID 66645595) has the molecular formula C31H38O3Si2 and a molecular weight of 514.81 g/mol. Its IUPAC name is bis[2-[dimethyl(naphthalen-2-ylmethyl)silyl]ethyl] carbonate.

Molecular Properties

Compound Namebis[2-[dimethyl(naphthalen-2-ylmethyl)silyl]ethyl] carbonate
PubChem CID66645595
Molecular FormulaC31H38O3Si2
Molecular Weight514.81 g/mol
Exact Mass514.24
IUPAC Namebis[2-[dimethyl(naphthalen-2-ylmethyl)silyl]ethyl] carbonate
SMILESC[Si](C)(CCOC(=O)OCC[Si](C)(C)Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1
InChIInChI=1S/C31H38O3Si2/c1-35(2,23-25-13-15-27-9-5-7-11-29(27)21-25)19-17-33-31(32)34-18-20-36(3,4)24-26-14-16-28-10-6-8-12-30(28)22-26/h5-16,21-22H,17-20,23-24H2,1-4H3
InChIKeyYORDWYKBBDSGLB-UHFFFAOYSA-N
XLogP8.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.81
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bis[2-[dimethyl(naphthalen-2-ylmethyl)silyl]ethyl] carbonate 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

2-[benzyl(dimethyl)silyl]ethyl carbamate
CID 140557047
4-naphthalen-2-ylbutyl nonyl carbonate
CID 102088379
3-naphthalen-2-yl-2-trimethylsilylpropanoic acid
CID 101099223
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
CID 173442082
CID 173442082
2-(2-naphthalen-2-ylacetyl)oxyethyl 2-methylprop-2-enoate
CID 101047899
naphthalen-2-ylmethanol;trimethyl(trimethylsilyloxy)silane
CID 18769162
trimethyl-[2-(2-naphthalen-2-ylacetyl)oxyethyl]azanium
CID 15225296
naphthalen-2-ylmethyl propanoate;hydrochloride
CID 174398920
dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-(naphthalen-2-ylmethyl)azanium
CID 19917679
[6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate
CID 57059015
4-(dimethylamino)-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
CID 27848229

Frequently Asked Questions

What is the IUPAC name of bis[2-[dimethyl(naphthalen-2-ylmethyl)silyl]ethyl] carbonate?
The IUPAC name of bis[2-[dimethyl(naphthalen-2-ylmethyl)silyl]ethyl] carbonate (CID 66645595) is bis[2-[dimethyl(naphthalen-2-ylmethyl)silyl]ethyl] carbonate.
What is the SMILES notation for bis[2-[dimethyl(naphthalen-2-ylmethyl)silyl]ethyl] carbonate?
The canonical SMILES for bis[2-[dimethyl(naphthalen-2-ylmethyl)silyl]ethyl] carbonate is C[Si](C)(CCOC(=O)OCC[Si](C)(C)Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1.
What is the InChIKey of bis[2-[dimethyl(naphthalen-2-ylmethyl)silyl]ethyl] carbonate?
The InChIKey is YORDWYKBBDSGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38O3Si2/c1-35(2,23-25-13-15-27-9-5-7-11-29(27)21-25)19-17-33-31(32)34-18-20-36(3,4)24-26-14-16-28-10-6-8-12-30(28)22-26/h5-16,21-22H,17-20,23-24H2,1-4H3.
What are the key properties of bis[2-[dimethyl(naphthalen-2-ylmethyl)silyl]ethyl] carbonate?
bis[2-[dimethyl(naphthalen-2-ylmethyl)silyl]ethyl] carbonate has a molecular weight of 514.81 g/mol, XLogP of 8.43, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[dimethyl(naphthalen-2-ylmethyl)silyl]ethyl] carbonate is sourced from PubChem (CID 66645595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).