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

O8P4Ti — CID 174802464

IUPACdioxotitanium;2,4,6,8,9,10-hexaoxa-1,3,5,7-tetraphosphatricyclo[3.3.1.13,7]decane
SMILESO1P2OP3OP1OP(O2)O3.O=[Ti]=O
InChIInChI=1S/O6P4.2O.Ti/c1-7-2-9-4-8(1)5-10(3-7)6-9;;;
InChIKeyJDDCHOJEOJWAKX-UHFFFAOYSA-N
MW299.75 g/mol
LogP2.79
Rot. Bonds

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

dioxotitanium;2,4,6,8,9,10-hexaoxa-1,3,5,7-tetraphosphatricyclo[3.3.1.13,7]decane (PubChem CID 174802464) has the molecular formula O8P4Ti and a molecular weight of 299.75 g/mol. Its IUPAC name is dioxotitanium;2,4,6,8,9,10-hexaoxa-1,3,5,7-tetraphosphatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Namedioxotitanium;2,4,6,8,9,10-hexaoxa-1,3,5,7-tetraphosphatricyclo[3.3.1.13,7]decane
PubChem CID174802464
Molecular FormulaO8P4Ti
Molecular Weight299.75 g/mol
Exact Mass299.80
IUPAC Namedioxotitanium;2,4,6,8,9,10-hexaoxa-1,3,5,7-tetraphosphatricyclo[3.3.1.13,7]decane
SMILESO1P2OP3OP1OP(O2)O3.O=[Ti]=O
InChIInChI=1S/O6P4.2O.Ti/c1-7-2-9-4-8(1)5-10(3-7)6-9;;;
InChIKeyJDDCHOJEOJWAKX-UHFFFAOYSA-N
XLogP2.79
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Phosphorus oxide (P4O10)
CID 14812
2,4,6,8,9,10-Hexaoxa-1,3,5,7-tetraphosphatricyclo(3.3.1.13,7)decane
CID 123290
Tetraphosphorus octoxide
CID 139223
2,4,6,8,9,10-Hexaoxa-1,3,5,7-tetraphosphatricyclo(3.3.1.13,7)decane, 1,3,5-trioxide
CID 139224

Frequently Asked Questions

What is the IUPAC name of dioxotitanium;2,4,6,8,9,10-hexaoxa-1,3,5,7-tetraphosphatricyclo[3.3.1.13,7]decane?
The IUPAC name of dioxotitanium;2,4,6,8,9,10-hexaoxa-1,3,5,7-tetraphosphatricyclo[3.3.1.13,7]decane (CID 174802464) is dioxotitanium;2,4,6,8,9,10-hexaoxa-1,3,5,7-tetraphosphatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for dioxotitanium;2,4,6,8,9,10-hexaoxa-1,3,5,7-tetraphosphatricyclo[3.3.1.13,7]decane?
The canonical SMILES for dioxotitanium;2,4,6,8,9,10-hexaoxa-1,3,5,7-tetraphosphatricyclo[3.3.1.13,7]decane is O1P2OP3OP1OP(O2)O3.O=[Ti]=O.
What is the InChIKey of dioxotitanium;2,4,6,8,9,10-hexaoxa-1,3,5,7-tetraphosphatricyclo[3.3.1.13,7]decane?
The InChIKey is JDDCHOJEOJWAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/O6P4.2O.Ti/c1-7-2-9-4-8(1)5-10(3-7)6-9;;;.
What are the key properties of dioxotitanium;2,4,6,8,9,10-hexaoxa-1,3,5,7-tetraphosphatricyclo[3.3.1.13,7]decane?
dioxotitanium;2,4,6,8,9,10-hexaoxa-1,3,5,7-tetraphosphatricyclo[3.3.1.13,7]decane has a molecular weight of 299.75 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dioxotitanium;2,4,6,8,9,10-hexaoxa-1,3,5,7-tetraphosphatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 174802464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).