CID 159249113

C8H18BiOTi — CID 159249113

IUPAC—
SMILESCCCCC(CC)CO.[Bi].[Ti]
InChIInChI=1S/C8H18O.Bi.Ti/c1-3-5-6-8(4-2)7-9;;/h8-9H,3-7H2,1-2H3;;
InChIKeyXLJOOMCSNVKJSW-UHFFFAOYSA-N
MW387.08 g/mol
LogP1.81
Rot. Bonds5

About CID 159249113

CID 159249113 (PubChem CID 159249113) has the molecular formula C8H18BiOTi and a molecular weight of 387.08 g/mol.

Molecular Properties

Compound NameCID 159249113
PubChem CID159249113
Molecular FormulaC8H18BiOTi
Molecular Weight387.08 g/mol
Exact Mass387.06
IUPAC Name—
SMILESCCCCC(CC)CO.[Bi].[Ti]
InChIInChI=1S/C8H18O.Bi.Ti/c1-3-5-6-8(4-2)7-9;;/h8-9H,3-7H2,1-2H3;;
InChIKeyXLJOOMCSNVKJSW-UHFFFAOYSA-N
XLogP1.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.08
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 159249113?
The IUPAC name of CID 159249113 (CID 159249113) is not available.
What is the SMILES notation for CID 159249113?
The canonical SMILES for CID 159249113 is CCCCC(CC)CO.[Bi].[Ti].
What is the InChIKey of CID 159249113?
The InChIKey is XLJOOMCSNVKJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.Bi.Ti/c1-3-5-6-8(4-2)7-9;;/h8-9H,3-7H2,1-2H3;;.
What are the key properties of CID 159249113?
CID 159249113 has a molecular weight of 387.08 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159249113 is sourced from PubChem (CID 159249113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).