dimethanidyl(dimethyl)silane;furan-2-ylmethanol;titanium(2+)

C9H16O2SiTi — CID 20687675

IUPACdimethanidyl(dimethyl)silane;furan-2-ylmethanol;titanium(2+)
SMILESOCc1ccco1.[CH2-][Si]([CH2-])(C)C.[Ti+2]
InChIInChI=1S/C5H6O2.C4H10Si.Ti/c6-4-5-2-1-3-7-5;1-5(2,3)4;/h1-3,6H,4H2;1-2H2,3-4H3;/q;-2;+2
InChIKeyPDLQSRRXBPLNRA-UHFFFAOYSA-N
MW232.18 g/mol
LogP2.21
Rot. Bonds1

About dimethanidyl(dimethyl)silane;furan-2-ylmethanol;titanium(2+)

dimethanidyl(dimethyl)silane;furan-2-ylmethanol;titanium(2+) (PubChem CID 20687675) has the molecular formula C9H16O2SiTi and a molecular weight of 232.18 g/mol. Its IUPAC name is dimethanidyl(dimethyl)silane;furan-2-ylmethanol;titanium(2+).

Molecular Properties

Compound Namedimethanidyl(dimethyl)silane;furan-2-ylmethanol;titanium(2+)
PubChem CID20687675
Molecular FormulaC9H16O2SiTi
Molecular Weight232.18 g/mol
Exact Mass232.04
IUPAC Namedimethanidyl(dimethyl)silane;furan-2-ylmethanol;titanium(2+)
SMILESOCc1ccco1.[CH2-][Si]([CH2-])(C)C.[Ti+2]
InChIInChI=1S/C5H6O2.C4H10Si.Ti/c6-4-5-2-1-3-7-5;1-5(2,3)4;/h1-3,6H,4H2;1-2H2,3-4H3;/q;-2;+2
InChIKeyPDLQSRRXBPLNRA-UHFFFAOYSA-N
XLogP2.21
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.18
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

furan-2-ylmethanol;2-methylfuran
CID 174421035
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furan-2-ylmethanol;1,2,3-trimethylbenzene
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furan-2-ylmethanol;propane-1,2,3-triol
CID 90073658
furan-2-ylmethanol;4-oxopentanoic acid
CID 174653424
dimethanidyl(dimethyl)silane;1-(furan-2-yl)pentan-1-ol;titanium(2+)
CID 20687674
2-(furan-2-ylmethylamino)butan-1-ol
CID 4722612
furan-2-ylmethanethiol
CID 158949317
11-(furan-2-yl)undecan-1-ol
CID 139763920
2-(2-deuterioethyl)furan
CID 141162489
2-(furan-2-yl)ethane-1,1-diol
CID 156698008

Frequently Asked Questions

What is the IUPAC name of dimethanidyl(dimethyl)silane;furan-2-ylmethanol;titanium(2+)?
The IUPAC name of dimethanidyl(dimethyl)silane;furan-2-ylmethanol;titanium(2+) (CID 20687675) is dimethanidyl(dimethyl)silane;furan-2-ylmethanol;titanium(2+).
What is the SMILES notation for dimethanidyl(dimethyl)silane;furan-2-ylmethanol;titanium(2+)?
The canonical SMILES for dimethanidyl(dimethyl)silane;furan-2-ylmethanol;titanium(2+) is OCc1ccco1.[CH2-][Si]([CH2-])(C)C.[Ti+2].
What is the InChIKey of dimethanidyl(dimethyl)silane;furan-2-ylmethanol;titanium(2+)?
The InChIKey is PDLQSRRXBPLNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2.C4H10Si.Ti/c6-4-5-2-1-3-7-5;1-5(2,3)4;/h1-3,6H,4H2;1-2H2,3-4H3;/q;-2;+2.
What are the key properties of dimethanidyl(dimethyl)silane;furan-2-ylmethanol;titanium(2+)?
dimethanidyl(dimethyl)silane;furan-2-ylmethanol;titanium(2+) has a molecular weight of 232.18 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethanidyl(dimethyl)silane;furan-2-ylmethanol;titanium(2+) is sourced from PubChem (CID 20687675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).