bis(oxygen(2-));titanium(4+);3-trimethoxysilylpropan-1-amine

C6H17NO5SiTi — CID 161482517

IUPACbis(oxygen(2-));titanium(4+);3-trimethoxysilylpropan-1-amine
SMILESCO[Si](CCCN)(OC)OC.[O-2].[O-2].[Ti+4]
InChIInChI=1S/C6H17NO3Si.2O.Ti/c1-8-11(9-2,10-3)6-4-5-7;;;/h4-7H2,1-3H3;;;/q;2*-2;+4
InChIKeyWEOBEQQVPZSFAU-UHFFFAOYSA-N
MW259.16 g/mol
LogP-0.03
Rot. Bonds6

About bis(oxygen(2-));titanium(4+);3-trimethoxysilylpropan-1-amine

bis(oxygen(2-));titanium(4+);3-trimethoxysilylpropan-1-amine (PubChem CID 161482517) has the molecular formula C6H17NO5SiTi and a molecular weight of 259.16 g/mol. Its IUPAC name is bis(oxygen(2-));titanium(4+);3-trimethoxysilylpropan-1-amine.

Molecular Properties

Compound Namebis(oxygen(2-));titanium(4+);3-trimethoxysilylpropan-1-amine
PubChem CID161482517
Molecular FormulaC6H17NO5SiTi
Molecular Weight259.16 g/mol
Exact Mass259.04
IUPAC Namebis(oxygen(2-));titanium(4+);3-trimethoxysilylpropan-1-amine
SMILESCO[Si](CCCN)(OC)OC.[O-2].[O-2].[Ti+4]
InChIInChI=1S/C6H17NO3Si.2O.Ti/c1-8-11(9-2,10-3)6-4-5-7;;;/h4-7H2,1-3H3;;;/q;2*-2;+4
InChIKeyWEOBEQQVPZSFAU-UHFFFAOYSA-N
XLogP-0.03
TPSA110.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclobutane;3-trimethoxysilylpropan-1-amine
CID 175187694
ethane;methanol;bis(3-trimethoxysilylpropan-1-amine)
CID 158708863
methanol;3-trimethoxysilylpropan-1-amine;hydrochloride
CID 174963553
36-trimethoxysilylhexatriacontan-1-amine
CID 87680936
33-trimethoxysilyltritriacontan-1-amine
CID 87686996
3-silylpropan-1-amine;3-trimethoxysilylpropan-1-amine
CID 158758636
N'-(2-aminoethyl)ethane-1,2-diamine;3-trimethoxysilylpropan-1-amine
CID 158654505
isothiocyanic acid;3-trimethoxysilylpropan-1-amine
CID 172722891
3-[methoxy-di(propan-2-yloxy)silyl]propan-1-amine
CID 140917139
3-[diethoxy(methoxy)silyl]propan-1-amine;3-[ethoxy(dimethoxy)silyl]propan-1-amine;3-trimethoxysilylpropan-1-amine
CID 159243688
N,N-dimethyl-3-trimethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine
CID 87575509
3-[methoxy(dimethyl)silyl]propan-1-amine
CID 2733753

Frequently Asked Questions

What is the IUPAC name of bis(oxygen(2-));titanium(4+);3-trimethoxysilylpropan-1-amine?
The IUPAC name of bis(oxygen(2-));titanium(4+);3-trimethoxysilylpropan-1-amine (CID 161482517) is bis(oxygen(2-));titanium(4+);3-trimethoxysilylpropan-1-amine.
What is the SMILES notation for bis(oxygen(2-));titanium(4+);3-trimethoxysilylpropan-1-amine?
The canonical SMILES for bis(oxygen(2-));titanium(4+);3-trimethoxysilylpropan-1-amine is CO[Si](CCCN)(OC)OC.[O-2].[O-2].[Ti+4].
What is the InChIKey of bis(oxygen(2-));titanium(4+);3-trimethoxysilylpropan-1-amine?
The InChIKey is WEOBEQQVPZSFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17NO3Si.2O.Ti/c1-8-11(9-2,10-3)6-4-5-7;;;/h4-7H2,1-3H3;;;/q;2*-2;+4.
What are the key properties of bis(oxygen(2-));titanium(4+);3-trimethoxysilylpropan-1-amine?
bis(oxygen(2-));titanium(4+);3-trimethoxysilylpropan-1-amine has a molecular weight of 259.16 g/mol, XLogP of -0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(oxygen(2-));titanium(4+);3-trimethoxysilylpropan-1-amine is sourced from PubChem (CID 161482517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).