butyl phosphate;titanium(2+)

C4H9O4PTi — CID 141032733

IUPACbutyl phosphate;titanium(2+)
SMILESCCCCOP(=O)([O-])[O-].[Ti+2]
InChIInChI=1S/C4H11O4P.Ti/c1-2-3-4-8-9(5,6)7;/h2-4H2,1H3,(H2,5,6,7);/q;+2/p-2
InChIKeyQRRAOGCRDNDJFG-UHFFFAOYSA-L
MW199.95 g/mol
LogP-0.37
Rot. Bonds4

About butyl phosphate;titanium(2+)

butyl phosphate;titanium(2+) (PubChem CID 141032733) has the molecular formula C4H9O4PTi and a molecular weight of 199.95 g/mol. Its IUPAC name is butyl phosphate;titanium(2+).

Molecular Properties

Compound Namebutyl phosphate;titanium(2+)
PubChem CID141032733
Molecular FormulaC4H9O4PTi
Molecular Weight199.95 g/mol
Exact Mass199.97
IUPAC Namebutyl phosphate;titanium(2+)
SMILESCCCCOP(=O)([O-])[O-].[Ti+2]
InChIInChI=1S/C4H11O4P.Ti/c1-2-3-4-8-9(5,6)7;/h2-4H2,1H3,(H2,5,6,7);/q;+2/p-2
InChIKeyQRRAOGCRDNDJFG-UHFFFAOYSA-L
XLogP-0.37
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.95
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl phosphate;titanium(2+)?
The IUPAC name of butyl phosphate;titanium(2+) (CID 141032733) is butyl phosphate;titanium(2+).
What is the SMILES notation for butyl phosphate;titanium(2+)?
The canonical SMILES for butyl phosphate;titanium(2+) is CCCCOP(=O)([O-])[O-].[Ti+2].
What is the InChIKey of butyl phosphate;titanium(2+)?
The InChIKey is QRRAOGCRDNDJFG-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H11O4P.Ti/c1-2-3-4-8-9(5,6)7;/h2-4H2,1H3,(H2,5,6,7);/q;+2/p-2.
What are the key properties of butyl phosphate;titanium(2+)?
butyl phosphate;titanium(2+) has a molecular weight of 199.95 g/mol, XLogP of -0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl phosphate;titanium(2+) is sourced from PubChem (CID 141032733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).