CID 12638671

C13H35AlOSi3 — CID 12638671

IUPAC—
SMILESC1CCOC1.C[Si](C)C.C[Si](C)C.C[Si](C)C.[Al]
InChIInChI=1S/C4H8O.3C3H9Si.Al/c1-2-4-5-3-1;3*1-4(2)3;/h1-4H2;3*1-3H3;
InChIKeyVQFOXPFFTQYPRX-UHFFFAOYSA-N
MW318.66 g/mol
LogP4.53
Rot. Bonds

About CID 12638671

CID 12638671 (PubChem CID 12638671) has the molecular formula C13H35AlOSi3 and a molecular weight of 318.66 g/mol.

Molecular Properties

Compound NameCID 12638671
PubChem CID12638671
Molecular FormulaC13H35AlOSi3
Molecular Weight318.66 g/mol
Exact Mass318.18
IUPAC Name—
SMILESC1CCOC1.C[Si](C)C.C[Si](C)C.C[Si](C)C.[Al]
InChIInChI=1S/C4H8O.3C3H9Si.Al/c1-2-4-5-3-1;3*1-4(2)3;/h1-4H2;3*1-3H3;
InChIKeyVQFOXPFFTQYPRX-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.66
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 12638671?
The IUPAC name of CID 12638671 (CID 12638671) is not available.
What is the SMILES notation for CID 12638671?
The canonical SMILES for CID 12638671 is C1CCOC1.C[Si](C)C.C[Si](C)C.C[Si](C)C.[Al].
What is the InChIKey of CID 12638671?
The InChIKey is VQFOXPFFTQYPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.3C3H9Si.Al/c1-2-4-5-3-1;3*1-4(2)3;/h1-4H2;3*1-3H3;.
What are the key properties of CID 12638671?
CID 12638671 has a molecular weight of 318.66 g/mol, XLogP of 4.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 12638671 is sourced from PubChem (CID 12638671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).