carbanide;ethane;bis(pentane);bis(titanium(3+));hydrate

C16H40OTi2 — CID 88509419

IUPACcarbanide;ethane;bis(pentane);bis(titanium(3+));hydrate
SMILESO.[CH2-]C.[CH2-]C.[CH2-]CCCC.[CH2-]CCCC.[CH3-].[CH3-].[Ti+3].[Ti+3]
InChIInChI=1S/2C5H11.2C2H5.2CH3.H2O.2Ti/c2*1-3-5-4-2;2*1-2;;;;;/h2*1,3-5H2,2H3;2*1H2,2H3;2*1H3;1H2;;/q6*-1;;2*+3
InChIKeyZQRNMUIDINCTIX-UHFFFAOYSA-N
MW344.23 g/mol
LogP5.77
Rot. Bonds4

About carbanide;ethane;bis(pentane);bis(titanium(3+));hydrate

carbanide;ethane;bis(pentane);bis(titanium(3+));hydrate (PubChem CID 88509419) has the molecular formula C16H40OTi2 and a molecular weight of 344.23 g/mol. Its IUPAC name is carbanide;ethane;bis(pentane);bis(titanium(3+));hydrate.

Molecular Properties

Compound Namecarbanide;ethane;bis(pentane);bis(titanium(3+));hydrate
PubChem CID88509419
Molecular FormulaC16H40OTi2
Molecular Weight344.23 g/mol
Exact Mass344.20
IUPAC Namecarbanide;ethane;bis(pentane);bis(titanium(3+));hydrate
SMILESO.[CH2-]C.[CH2-]C.[CH2-]CCCC.[CH2-]CCCC.[CH3-].[CH3-].[Ti+3].[Ti+3]
InChIInChI=1S/2C5H11.2C2H5.2CH3.H2O.2Ti/c2*1-3-5-4-2;2*1-2;;;;;/h2*1,3-5H2,2H3;2*1H2,2H3;2*1H3;1H2;;/q6*-1;;2*+3
InChIKeyZQRNMUIDINCTIX-UHFFFAOYSA-N
XLogP5.77
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.23
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

zinc;carbanide;pentane
CID 59938610
carbanide;iridium(3+);pentane
CID 23526392
carbanide;gadolinium(2+);pentane
CID 174464461
magnesium;carbanide;pentane;hydrobromide
CID 118089273
potassium pentane
CID 23495497
palladium(2+);pentane;chloride
CID 88629932
butane;ethane;bis(titanium(3+));hydrate
CID 88509097
iodotitanium(3+);tris(pentane)
CID 18688406
magnesium;hexane;pentane
CID 19799394
dilithium;carbanide;hexane
CID 174334686
dichlorotitanium;bis(pentane)
CID 18688492
octadecane;titanium;hydrate
CID 87575322

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;bis(pentane);bis(titanium(3+));hydrate?
The IUPAC name of carbanide;ethane;bis(pentane);bis(titanium(3+));hydrate (CID 88509419) is carbanide;ethane;bis(pentane);bis(titanium(3+));hydrate.
What is the SMILES notation for carbanide;ethane;bis(pentane);bis(titanium(3+));hydrate?
The canonical SMILES for carbanide;ethane;bis(pentane);bis(titanium(3+));hydrate is O.[CH2-]C.[CH2-]C.[CH2-]CCCC.[CH2-]CCCC.[CH3-].[CH3-].[Ti+3].[Ti+3].
What is the InChIKey of carbanide;ethane;bis(pentane);bis(titanium(3+));hydrate?
The InChIKey is ZQRNMUIDINCTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11.2C2H5.2CH3.H2O.2Ti/c2*1-3-5-4-2;2*1-2;;;;;/h2*1,3-5H2,2H3;2*1H2,2H3;2*1H3;1H2;;/q6*-1;;2*+3.
What are the key properties of carbanide;ethane;bis(pentane);bis(titanium(3+));hydrate?
carbanide;ethane;bis(pentane);bis(titanium(3+));hydrate has a molecular weight of 344.23 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;bis(pentane);bis(titanium(3+));hydrate is sourced from PubChem (CID 88509419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).