CID 155756220

C13H21O3Si — CID 155756220

IUPAC—
SMILESCCOCCCO[Si](C)C(O)c1ccccc1
InChIInChI=1S/C13H21O3Si/c1-3-15-10-7-11-16-17(2)13(14)12-8-5-4-6-9-12/h4-6,8-9,13-14H,3,7,10-11H2,1-2H3
InChIKeyBOVDNCZHPHNKSU-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.32
Rot. Bonds8

About CID 155756220

CID 155756220 (PubChem CID 155756220) has the molecular formula C13H21O3Si and a molecular weight of 253.39 g/mol.

Molecular Properties

Compound NameCID 155756220
PubChem CID155756220
Molecular FormulaC13H21O3Si
Molecular Weight253.39 g/mol
Exact Mass253.13
IUPAC Name—
SMILESCCOCCCO[Si](C)C(O)c1ccccc1
InChIInChI=1S/C13H21O3Si/c1-3-15-10-7-11-16-17(2)13(14)12-8-5-4-6-9-12/h4-6,8-9,13-14H,3,7,10-11H2,1-2H3
InChIKeyBOVDNCZHPHNKSU-UHFFFAOYSA-N
XLogP2.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 155756220?
The IUPAC name of CID 155756220 (CID 155756220) is not available.
What is the SMILES notation for CID 155756220?
The canonical SMILES for CID 155756220 is CCOCCCO[Si](C)C(O)c1ccccc1.
What is the InChIKey of CID 155756220?
The InChIKey is BOVDNCZHPHNKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21O3Si/c1-3-15-10-7-11-16-17(2)13(14)12-8-5-4-6-9-12/h4-6,8-9,13-14H,3,7,10-11H2,1-2H3.
What are the key properties of CID 155756220?
CID 155756220 has a molecular weight of 253.39 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155756220 is sourced from PubChem (CID 155756220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).