dihydroxy-(3-methyl-3-piperidin-1-ylbutoxy)-prop-2-enoxysilane

C13H27NO4Si — CID 174636397

IUPACdihydroxy-(3-methyl-3-piperidin-1-ylbutoxy)-prop-2-enoxysilane
SMILESC=CCO[Si](O)(O)OCCC(C)(C)N1CCCCC1
InChIInChI=1S/C13H27NO4Si/c1-4-11-17-19(15,16)18-12-8-13(2,3)14-9-6-5-7-10-14/h4,15-16H,1,5-12H2,2-3H3
InChIKeyNLFVUPPORBPVDD-UHFFFAOYSA-N
MW289.45 g/mol
LogP1.28
Rot. Bonds8

About dihydroxy-(3-methyl-3-piperidin-1-ylbutoxy)-prop-2-enoxysilane

dihydroxy-(3-methyl-3-piperidin-1-ylbutoxy)-prop-2-enoxysilane (PubChem CID 174636397) has the molecular formula C13H27NO4Si and a molecular weight of 289.45 g/mol. Its IUPAC name is dihydroxy-(3-methyl-3-piperidin-1-ylbutoxy)-prop-2-enoxysilane.

Molecular Properties

Compound Namedihydroxy-(3-methyl-3-piperidin-1-ylbutoxy)-prop-2-enoxysilane
PubChem CID174636397
Molecular FormulaC13H27NO4Si
Molecular Weight289.45 g/mol
Exact Mass289.17
IUPAC Namedihydroxy-(3-methyl-3-piperidin-1-ylbutoxy)-prop-2-enoxysilane
SMILESC=CCO[Si](O)(O)OCCC(C)(C)N1CCCCC1
InChIInChI=1S/C13H27NO4Si/c1-4-11-17-19(15,16)18-12-8-13(2,3)14-9-6-5-7-10-14/h4,15-16H,1,5-12H2,2-3H3
InChIKeyNLFVUPPORBPVDD-UHFFFAOYSA-N
XLogP1.28
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihydroxy-(3-methyl-3-piperidin-1-ylbutoxy)-prop-2-enoxysilane?
The IUPAC name of dihydroxy-(3-methyl-3-piperidin-1-ylbutoxy)-prop-2-enoxysilane (CID 174636397) is dihydroxy-(3-methyl-3-piperidin-1-ylbutoxy)-prop-2-enoxysilane.
What is the SMILES notation for dihydroxy-(3-methyl-3-piperidin-1-ylbutoxy)-prop-2-enoxysilane?
The canonical SMILES for dihydroxy-(3-methyl-3-piperidin-1-ylbutoxy)-prop-2-enoxysilane is C=CCO[Si](O)(O)OCCC(C)(C)N1CCCCC1.
What is the InChIKey of dihydroxy-(3-methyl-3-piperidin-1-ylbutoxy)-prop-2-enoxysilane?
The InChIKey is NLFVUPPORBPVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4Si/c1-4-11-17-19(15,16)18-12-8-13(2,3)14-9-6-5-7-10-14/h4,15-16H,1,5-12H2,2-3H3.
What are the key properties of dihydroxy-(3-methyl-3-piperidin-1-ylbutoxy)-prop-2-enoxysilane?
dihydroxy-(3-methyl-3-piperidin-1-ylbutoxy)-prop-2-enoxysilane has a molecular weight of 289.45 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-(3-methyl-3-piperidin-1-ylbutoxy)-prop-2-enoxysilane is sourced from PubChem (CID 174636397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).