CID 155936654

C13H18BO4Si — CID 155936654

IUPAC—
SMILES[B]/C=C1/CC(C(=O)OCC)(C(=O)OCC)CC1C[Si]
InChIInChI=1S/C13H18BO4Si/c1-3-17-11(15)13(12(16)18-4-2)5-9(7-14)10(6-13)8-19/h7,10H,3-6,8H2,1-2H3/b9-7-
InChIKeyDONSDGGPDMDATQ-CLFYSBASSA-N
MW277.18 g/mol
LogP1.15
Rot. Bonds5

About CID 155936654

CID 155936654 (PubChem CID 155936654) has the molecular formula C13H18BO4Si and a molecular weight of 277.18 g/mol.

Molecular Properties

Compound NameCID 155936654
PubChem CID155936654
Molecular FormulaC13H18BO4Si
Molecular Weight277.18 g/mol
Exact Mass277.11
IUPAC Name—
SMILES[B]/C=C1/CC(C(=O)OCC)(C(=O)OCC)CC1C[Si]
InChIInChI=1S/C13H18BO4Si/c1-3-17-11(15)13(12(16)18-4-2)5-9(7-14)10(6-13)8-19/h7,10H,3-6,8H2,1-2H3/b9-7-
InChIKeyDONSDGGPDMDATQ-CLFYSBASSA-N
XLogP1.15
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.18
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 155936654?
The IUPAC name of CID 155936654 (CID 155936654) is not available.
What is the SMILES notation for CID 155936654?
The canonical SMILES for CID 155936654 is [B]/C=C1/CC(C(=O)OCC)(C(=O)OCC)CC1C[Si].
What is the InChIKey of CID 155936654?
The InChIKey is DONSDGGPDMDATQ-CLFYSBASSA-N. The full InChI is InChI=1S/C13H18BO4Si/c1-3-17-11(15)13(12(16)18-4-2)5-9(7-14)10(6-13)8-19/h7,10H,3-6,8H2,1-2H3/b9-7-.
What are the key properties of CID 155936654?
CID 155936654 has a molecular weight of 277.18 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155936654 is sourced from PubChem (CID 155936654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).