dioxosilane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide

O12P4Si — CID 164672889

IUPACdioxosilane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide
SMILESO=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3.O=[Si]=O
InChIInChI=1S/O10P4.O2Si/c1-11-5-12(2)8-13(3,6-11)10-14(4,7-11)9-12;1-3-2
InChIKeySNIGKGHADLYLNB-UHFFFAOYSA-N
MW343.97 g/mol
LogP1.94
Rot. Bonds

About dioxosilane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide

dioxosilane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide (PubChem CID 164672889) has the molecular formula O12P4Si and a molecular weight of 343.97 g/mol. Its IUPAC name is dioxosilane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide.

Molecular Properties

Compound Namedioxosilane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide
PubChem CID164672889
Molecular FormulaO12P4Si
Molecular Weight343.97 g/mol
Exact Mass343.81
IUPAC Namedioxosilane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide
SMILESO=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3.O=[Si]=O
InChIInChI=1S/O10P4.O2Si/c1-11-5-12(2)8-13(3,6-11)10-14(4,7-11)9-12;1-3-2
InChIKeySNIGKGHADLYLNB-UHFFFAOYSA-N
XLogP1.94
TPSA157.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.97
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dioxosilane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide?
The IUPAC name of dioxosilane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide (CID 164672889) is dioxosilane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide.
What is the SMILES notation for dioxosilane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide?
The canonical SMILES for dioxosilane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide is O=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3.O=[Si]=O.
What is the InChIKey of dioxosilane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide?
The InChIKey is SNIGKGHADLYLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/O10P4.O2Si/c1-11-5-12(2)8-13(3,6-11)10-14(4,7-11)9-12;1-3-2.
What are the key properties of dioxosilane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide?
dioxosilane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide has a molecular weight of 343.97 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dioxosilane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide is sourced from PubChem (CID 164672889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).