CID 59959813

C9H27O7Si5 — CID 59959813

IUPAC—
SMILESCO[Si](CC[Si]1(C)O[SiH](C)O[Si](C)O[SiH](C)O1)(OC)OC
InChIInChI=1S/C9H27O7Si5/c1-10-21(11-2,12-3)9-8-20(7)15-18(5)13-17(4)14-19(6)16-20/h18-19H,8-9H2,1-7H3
InChIKeyYEOJYBYFYXUPEI-UHFFFAOYSA-N
MW387.74 g/mol
LogP0.84
Rot. Bonds6

About CID 59959813

CID 59959813 (PubChem CID 59959813) has the molecular formula C9H27O7Si5 and a molecular weight of 387.74 g/mol.

Molecular Properties

Compound NameCID 59959813
PubChem CID59959813
Molecular FormulaC9H27O7Si5
Molecular Weight387.74 g/mol
Exact Mass387.06
IUPAC Name—
SMILESCO[Si](CC[Si]1(C)O[SiH](C)O[Si](C)O[SiH](C)O1)(OC)OC
InChIInChI=1S/C9H27O7Si5/c1-10-21(11-2,12-3)9-8-20(7)15-18(5)13-17(4)14-19(6)16-20/h18-19H,8-9H2,1-7H3
InChIKeyYEOJYBYFYXUPEI-UHFFFAOYSA-N
XLogP0.84
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.74
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 59959813?
The IUPAC name of CID 59959813 (CID 59959813) is not available.
What is the SMILES notation for CID 59959813?
The canonical SMILES for CID 59959813 is CO[Si](CC[Si]1(C)O[SiH](C)O[Si](C)O[SiH](C)O1)(OC)OC.
What is the InChIKey of CID 59959813?
The InChIKey is YEOJYBYFYXUPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H27O7Si5/c1-10-21(11-2,12-3)9-8-20(7)15-18(5)13-17(4)14-19(6)16-20/h18-19H,8-9H2,1-7H3.
What are the key properties of CID 59959813?
CID 59959813 has a molecular weight of 387.74 g/mol, XLogP of 0.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59959813 is sourced from PubChem (CID 59959813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).