CID 154629380

C8H13O3Si — CID 154629380

IUPAC—
SMILESCCOC(=O)C1(O[Si])CCCC1
InChIInChI=1S/C8H13O3Si/c1-2-10-7(9)8(11-12)5-3-4-6-8/h2-6H2,1H3
InChIKeyDBTKIBLFURJBGU-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.96
Rot. Bonds3

About CID 154629380

CID 154629380 (PubChem CID 154629380) has the molecular formula C8H13O3Si and a molecular weight of 185.27 g/mol.

Molecular Properties

Compound NameCID 154629380
PubChem CID154629380
Molecular FormulaC8H13O3Si
Molecular Weight185.27 g/mol
Exact Mass185.06
IUPAC Name—
SMILESCCOC(=O)C1(O[Si])CCCC1
InChIInChI=1S/C8H13O3Si/c1-2-10-7(9)8(11-12)5-3-4-6-8/h2-6H2,1H3
InChIKeyDBTKIBLFURJBGU-UHFFFAOYSA-N
XLogP0.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-trimethylsilyloxycyclohexane-1-carboxylate
CID 141498306
ethyl 1-fluorocyclopentane-1-carboxylate
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8a-ethoxycarbonyl-1,2,3,4,5,6,7,8-octahydronaphthalene-4a-carboxylic acid
CID 12859727
ethane;ethyl 1-methylcyclohexane-1-carboxylate;methane
CID 142438427
ethyl 1-carbonochloridoylcyclohexane-1-carboxylate
CID 23208979
ethyl 1-methylsulfonylcyclopentane-1-carboxylate
CID 99996897
ethyl 1-ethylsulfonylcyclopentane-1-carboxylate
CID 99996901
cis-(1S,2R)-2-ethoxycarbonyl-1,2-dimethylcyclohexane-1-carboxylic acid
CID 175835686
(1-ethoxycarbonylcyclopropyl) piperidine-1-carboxylate
CID 158772757
ethyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate
CID 122237424
ethyl 1-ethoxy-4-oxocyclohexane-1-carboxylate
CID 129073639
ethyl 1-(2-bromo-2-oxoethyl)cyclohexane-1-carboxylate
CID 141040381

Frequently Asked Questions

What is the IUPAC name of CID 154629380?
The IUPAC name of CID 154629380 (CID 154629380) is not available.
What is the SMILES notation for CID 154629380?
The canonical SMILES for CID 154629380 is CCOC(=O)C1(O[Si])CCCC1.
What is the InChIKey of CID 154629380?
The InChIKey is DBTKIBLFURJBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O3Si/c1-2-10-7(9)8(11-12)5-3-4-6-8/h2-6H2,1H3.
What are the key properties of CID 154629380?
CID 154629380 has a molecular weight of 185.27 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154629380 is sourced from PubChem (CID 154629380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).