CID 57096187

C12H25O2Si — CID 57096187

IUPAC—
SMILESCO[Si](CCCCC1CCCCC1)OC
InChIInChI=1S/C12H25O2Si/c1-13-15(14-2)11-7-6-10-12-8-4-3-5-9-12/h12H,3-11H2,1-2H3
InChIKeyXLCUZKKASMXVQR-UHFFFAOYSA-N
MW229.42 g/mol
LogP3.52
Rot. Bonds7

About CID 57096187

CID 57096187 (PubChem CID 57096187) has the molecular formula C12H25O2Si and a molecular weight of 229.42 g/mol.

Molecular Properties

Compound NameCID 57096187
PubChem CID57096187
Molecular FormulaC12H25O2Si
Molecular Weight229.42 g/mol
Exact Mass229.16
IUPAC Name—
SMILESCO[Si](CCCCC1CCCCC1)OC
InChIInChI=1S/C12H25O2Si/c1-13-15(14-2)11-7-6-10-12-8-4-3-5-9-12/h12H,3-11H2,1-2H3
InChIKeyXLCUZKKASMXVQR-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.42
LogP ≤ 53.52
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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Related Compounds

4-cyclopentylbutylcyclohexane
CID 144547696
3-cyclohexadecylpropylcyclohexadecane
CID 57270632
3-cyclobutylpropylcyclohexane
CID 54165208
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
tetradecylcyclododecane
CID 169026037
1-(cyclohexylmethyl)-4-(4-cyclopropylbutyl)cyclohexane
CID 168781110
azane;heptylcyclohexane
CID 121434222
4-cyclohexylbutoxy(dimethoxy)silane
CID 150789567
4-(1-methoxyethoxy)butylcyclohexane
CID 21363364
4-cycloheptylbutan-1-ol
CID 54439965

Frequently Asked Questions

What is the IUPAC name of CID 57096187?
The IUPAC name of CID 57096187 (CID 57096187) is not available.
What is the SMILES notation for CID 57096187?
The canonical SMILES for CID 57096187 is CO[Si](CCCCC1CCCCC1)OC.
What is the InChIKey of CID 57096187?
The InChIKey is XLCUZKKASMXVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25O2Si/c1-13-15(14-2)11-7-6-10-12-8-4-3-5-9-12/h12H,3-11H2,1-2H3.
What are the key properties of CID 57096187?
CID 57096187 has a molecular weight of 229.42 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57096187 is sourced from PubChem (CID 57096187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).