hydroxy-oxo-(3,10,15,22-tetraoxapentacyclo[12.8.0.02,11.04,9.016,21]docosan-12-yl)silane

C18H28O6Si — CID 54166414

IUPAChydroxy-oxo-(3,10,15,22-tetraoxapentacyclo[12.8.0.02,11.04,9.016,21]docosan-12-yl)silane
SMILESO=[Si](O)C1CC2OC3CCCCC3OC2C2OC3CCCCC3OC21
InChIInChI=1S/C18H28O6Si/c19-25(20)15-9-14-16(22-11-6-2-1-5-10(11)21-14)18-17(15)23-12-7-3-4-8-13(12)24-18/h10-19H,1-9H2
InChIKeyBSKMKYLHXLKGGM-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.86
Rot. Bonds1

About hydroxy-oxo-(3,10,15,22-tetraoxapentacyclo[12.8.0.02,11.04,9.016,21]docosan-12-yl)silane

hydroxy-oxo-(3,10,15,22-tetraoxapentacyclo[12.8.0.02,11.04,9.016,21]docosan-12-yl)silane (PubChem CID 54166414) has the molecular formula C18H28O6Si and a molecular weight of 368.50 g/mol. Its IUPAC name is hydroxy-oxo-(3,10,15,22-tetraoxapentacyclo[12.8.0.02,11.04,9.016,21]docosan-12-yl)silane.

Molecular Properties

Compound Namehydroxy-oxo-(3,10,15,22-tetraoxapentacyclo[12.8.0.02,11.04,9.016,21]docosan-12-yl)silane
PubChem CID54166414
Molecular FormulaC18H28O6Si
Molecular Weight368.50 g/mol
Exact Mass368.17
IUPAC Namehydroxy-oxo-(3,10,15,22-tetraoxapentacyclo[12.8.0.02,11.04,9.016,21]docosan-12-yl)silane
SMILESO=[Si](O)C1CC2OC3CCCCC3OC2C2OC3CCCCC3OC21
InChIInChI=1S/C18H28O6Si/c19-25(20)15-9-14-16(22-11-6-2-1-5-10(11)21-14)18-17(15)23-12-7-3-4-8-13(12)24-18/h10-19H,1-9H2
InChIKeyBSKMKYLHXLKGGM-UHFFFAOYSA-N
XLogP1.86
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.86
H-Bond Donors ≤ 51
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 hydroxy-oxo-(3,10,15,22-tetraoxapentacyclo[12.8.0.02,11.04,9.016,21]docosan-12-yl)silane?
The IUPAC name of hydroxy-oxo-(3,10,15,22-tetraoxapentacyclo[12.8.0.02,11.04,9.016,21]docosan-12-yl)silane (CID 54166414) is hydroxy-oxo-(3,10,15,22-tetraoxapentacyclo[12.8.0.02,11.04,9.016,21]docosan-12-yl)silane.
What is the SMILES notation for hydroxy-oxo-(3,10,15,22-tetraoxapentacyclo[12.8.0.02,11.04,9.016,21]docosan-12-yl)silane?
The canonical SMILES for hydroxy-oxo-(3,10,15,22-tetraoxapentacyclo[12.8.0.02,11.04,9.016,21]docosan-12-yl)silane is O=[Si](O)C1CC2OC3CCCCC3OC2C2OC3CCCCC3OC21.
What is the InChIKey of hydroxy-oxo-(3,10,15,22-tetraoxapentacyclo[12.8.0.02,11.04,9.016,21]docosan-12-yl)silane?
The InChIKey is BSKMKYLHXLKGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O6Si/c19-25(20)15-9-14-16(22-11-6-2-1-5-10(11)21-14)18-17(15)23-12-7-3-4-8-13(12)24-18/h10-19H,1-9H2.
What are the key properties of hydroxy-oxo-(3,10,15,22-tetraoxapentacyclo[12.8.0.02,11.04,9.016,21]docosan-12-yl)silane?
hydroxy-oxo-(3,10,15,22-tetraoxapentacyclo[12.8.0.02,11.04,9.016,21]docosan-12-yl)silane has a molecular weight of 368.50 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(3,10,15,22-tetraoxapentacyclo[12.8.0.02,11.04,9.016,21]docosan-12-yl)silane is sourced from PubChem (CID 54166414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).