CID 87449255

C8H19O2Si — CID 87449255

IUPAC—
SMILESC[Si](C)OC(C)(O)C(C)(C)C
InChIInChI=1S/C8H19O2Si/c1-7(2,3)8(4,9)10-11(5)6/h9H,1-6H3
InChIKeyKUPMUZUQRPPCJF-UHFFFAOYSA-N
MW175.32 g/mol
LogP2.01
Rot. Bonds2

About CID 87449255

CID 87449255 (PubChem CID 87449255) has the molecular formula C8H19O2Si and a molecular weight of 175.32 g/mol.

Molecular Properties

Compound NameCID 87449255
PubChem CID87449255
Molecular FormulaC8H19O2Si
Molecular Weight175.32 g/mol
Exact Mass175.12
IUPAC Name—
SMILESC[Si](C)OC(C)(O)C(C)(C)C
InChIInChI=1S/C8H19O2Si/c1-7(2,3)8(4,9)10-11(5)6/h9H,1-6H3
InChIKeyKUPMUZUQRPPCJF-UHFFFAOYSA-N
XLogP2.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 87449255?
The IUPAC name of CID 87449255 (CID 87449255) is not available.
What is the SMILES notation for CID 87449255?
The canonical SMILES for CID 87449255 is C[Si](C)OC(C)(O)C(C)(C)C.
What is the InChIKey of CID 87449255?
The InChIKey is KUPMUZUQRPPCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O2Si/c1-7(2,3)8(4,9)10-11(5)6/h9H,1-6H3.
What are the key properties of CID 87449255?
CID 87449255 has a molecular weight of 175.32 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87449255 is sourced from PubChem (CID 87449255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).