CID 87546704

C13H30O2Si2 — CID 87546704

IUPAC—
SMILESCCC(C)OC(OC(C)CC)[Si]C[Si](C)(C)C
InChIInChI=1S/C13H30O2Si2/c1-8-11(3)14-13(15-12(4)9-2)16-10-17(5,6)7/h11-13H,8-10H2,1-7H3
InChIKeyJQSVZYMVDHEMQO-UHFFFAOYSA-N
MW274.55 g/mol
LogP3.90
Rot. Bonds9

About CID 87546704

CID 87546704 (PubChem CID 87546704) has the molecular formula C13H30O2Si2 and a molecular weight of 274.55 g/mol.

Molecular Properties

Compound NameCID 87546704
PubChem CID87546704
Molecular FormulaC13H30O2Si2
Molecular Weight274.55 g/mol
Exact Mass274.18
IUPAC Name—
SMILESCCC(C)OC(OC(C)CC)[Si]C[Si](C)(C)C
InChIInChI=1S/C13H30O2Si2/c1-8-11(3)14-13(15-12(4)9-2)16-10-17(5,6)7/h11-13H,8-10H2,1-7H3
InChIKeyJQSVZYMVDHEMQO-UHFFFAOYSA-N
XLogP3.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.55
LogP ≤ 53.90
H-Bond Donors ≤ 50
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 87546704?
The IUPAC name of CID 87546704 (CID 87546704) is not available.
What is the SMILES notation for CID 87546704?
The canonical SMILES for CID 87546704 is CCC(C)OC(OC(C)CC)[Si]C[Si](C)(C)C.
What is the InChIKey of CID 87546704?
The InChIKey is JQSVZYMVDHEMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O2Si2/c1-8-11(3)14-13(15-12(4)9-2)16-10-17(5,6)7/h11-13H,8-10H2,1-7H3.
What are the key properties of CID 87546704?
CID 87546704 has a molecular weight of 274.55 g/mol, XLogP of 3.90, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87546704 is sourced from PubChem (CID 87546704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).