CID 173331870

C12H27O3Si2 — CID 173331870

IUPAC—
SMILESCCO[Si](OCC)O[SiH2]C1CCCCCCC1
InChIInChI=1S/C12H27O3Si2/c1-3-13-17(14-4-2)15-16-12-10-8-6-5-7-9-11-12/h12H,3-11,16H2,1-2H3
InChIKeyZHVFMVKTWDENLT-UHFFFAOYSA-N
MW275.52 g/mol
LogP2.68
Rot. Bonds7

About CID 173331870

CID 173331870 (PubChem CID 173331870) has the molecular formula C12H27O3Si2 and a molecular weight of 275.52 g/mol.

Molecular Properties

Compound NameCID 173331870
PubChem CID173331870
Molecular FormulaC12H27O3Si2
Molecular Weight275.52 g/mol
Exact Mass275.15
IUPAC Name—
SMILESCCO[Si](OCC)O[SiH2]C1CCCCCCC1
InChIInChI=1S/C12H27O3Si2/c1-3-13-17(14-4-2)15-16-12-10-8-6-5-7-9-11-12/h12H,3-11,16H2,1-2H3
InChIKeyZHVFMVKTWDENLT-UHFFFAOYSA-N
XLogP2.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.52
LogP ≤ 52.68
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

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CID 173331923
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CID 173331957
CID 173331894
CID 173331894
CID 173332008
CID 173332008
ethoxycyclooctane
CID 13427982
cyclohexyl(ethyl)alumane
CID 154229601
cyclopentyl(diethoxymethyl)silane;silane;hydrobromide
CID 158765336
azane;ethoxycyclooctane
CID 70271275
cyclohexyl(hydroxy)silane;zirconium
CID 172736042
cyclohexyl(pentyl)silane
CID 123353519
CID 22363084
CID 22363084

Frequently Asked Questions

What is the IUPAC name of CID 173331870?
The IUPAC name of CID 173331870 (CID 173331870) is not available.
What is the SMILES notation for CID 173331870?
The canonical SMILES for CID 173331870 is CCO[Si](OCC)O[SiH2]C1CCCCCCC1.
What is the InChIKey of CID 173331870?
The InChIKey is ZHVFMVKTWDENLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O3Si2/c1-3-13-17(14-4-2)15-16-12-10-8-6-5-7-9-11-12/h12H,3-11,16H2,1-2H3.
What are the key properties of CID 173331870?
CID 173331870 has a molecular weight of 275.52 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173331870 is sourced from PubChem (CID 173331870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).