CID 71467029

C24H30O2Ti2+4 — CID 71467029

IUPAC—
SMILESCC[O-].CC[O-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+3].[Ti+3]
InChIInChI=1S/4C5H5.2C2H5O.2Ti/c4*1-2-4-5-3-1;2*1-2-3;;/h4*1-5H;2*2H2,1H3;;/q;;;;2*-1;2*+3
InChIKeyAKWXNQHJNVIIQB-UHFFFAOYSA-N
MW446.24 g/mol
LogP2.81
Rot. Bonds

About CID 71467029

CID 71467029 (PubChem CID 71467029) has the molecular formula C24H30O2Ti2+4 and a molecular weight of 446.24 g/mol.

Molecular Properties

Compound NameCID 71467029
PubChem CID71467029
Molecular FormulaC24H30O2Ti2+4
Molecular Weight446.24 g/mol
Exact Mass446.12
IUPAC Name—
SMILESCC[O-].CC[O-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+3].[Ti+3]
InChIInChI=1S/4C5H5.2C2H5O.2Ti/c4*1-2-4-5-3-1;2*1-2-3;;/h4*1-5H;2*2H2,1H3;;/q;;;;2*-1;2*+3
InChIKeyAKWXNQHJNVIIQB-UHFFFAOYSA-N
XLogP2.81
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.24
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 71467029?
The IUPAC name of CID 71467029 (CID 71467029) is not available.
What is the SMILES notation for CID 71467029?
The canonical SMILES for CID 71467029 is CC[O-].CC[O-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+3].[Ti+3].
What is the InChIKey of CID 71467029?
The InChIKey is AKWXNQHJNVIIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C5H5.2C2H5O.2Ti/c4*1-2-4-5-3-1;2*1-2-3;;/h4*1-5H;2*2H2,1H3;;/q;;;;2*-1;2*+3.
What are the key properties of CID 71467029?
CID 71467029 has a molecular weight of 446.24 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71467029 is sourced from PubChem (CID 71467029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).