CID 87151651

C13H21O5Si — CID 87151651

IUPAC—
SMILESC[Si](C)OC(c1cc(=O)c(O)c(CO)o1)C(C)(C)C
InChIInChI=1S/C13H21O5Si/c1-13(2,3)12(18-19(4)5)9-6-8(15)11(16)10(7-14)17-9/h6,12,14,16H,7H2,1-5H3
InChIKeyIIEXISWWNRDZND-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.19
Rot. Bonds4

About CID 87151651

CID 87151651 (PubChem CID 87151651) has the molecular formula C13H21O5Si and a molecular weight of 285.39 g/mol.

Molecular Properties

Compound NameCID 87151651
PubChem CID87151651
Molecular FormulaC13H21O5Si
Molecular Weight285.39 g/mol
Exact Mass285.12
IUPAC Name—
SMILESC[Si](C)OC(c1cc(=O)c(O)c(CO)o1)C(C)(C)C
InChIInChI=1S/C13H21O5Si/c1-13(2,3)12(18-19(4)5)9-6-8(15)11(16)10(7-14)17-9/h6,12,14,16H,7H2,1-5H3
InChIKeyIIEXISWWNRDZND-UHFFFAOYSA-N
XLogP2.19
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87151651?
The IUPAC name of CID 87151651 (CID 87151651) is not available.
What is the SMILES notation for CID 87151651?
The canonical SMILES for CID 87151651 is C[Si](C)OC(c1cc(=O)c(O)c(CO)o1)C(C)(C)C.
What is the InChIKey of CID 87151651?
The InChIKey is IIEXISWWNRDZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21O5Si/c1-13(2,3)12(18-19(4)5)9-6-8(15)11(16)10(7-14)17-9/h6,12,14,16H,7H2,1-5H3.
What are the key properties of CID 87151651?
CID 87151651 has a molecular weight of 285.39 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87151651 is sourced from PubChem (CID 87151651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).