2-(hydroxymethyl)-2-nitropropane-1,3-diol;prop-2-enylsilane

C7H17NO5Si — CID 174453521

IUPAC2-(hydroxymethyl)-2-nitropropane-1,3-diol;prop-2-enylsilane
SMILESC=CC[SiH3].O=[N+]([O-])C(CO)(CO)CO
InChIInChI=1S/C4H9NO5.C3H8Si/c6-1-4(2-7,3-8)5(9)10;1-2-3-4/h6-8H,1-3H2;2H,1,3H2,4H3
InChIKeyWIEBQXHBIJMRDU-UHFFFAOYSA-N
MW223.30 g/mol
LogP-2.07
Rot. Bonds5

About 2-(hydroxymethyl)-2-nitropropane-1,3-diol;prop-2-enylsilane

2-(hydroxymethyl)-2-nitropropane-1,3-diol;prop-2-enylsilane (PubChem CID 174453521) has the molecular formula C7H17NO5Si and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-nitropropane-1,3-diol;prop-2-enylsilane.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-nitropropane-1,3-diol;prop-2-enylsilane
PubChem CID174453521
Molecular FormulaC7H17NO5Si
Molecular Weight223.30 g/mol
Exact Mass223.09
IUPAC Name2-(hydroxymethyl)-2-nitropropane-1,3-diol;prop-2-enylsilane
SMILESC=CC[SiH3].O=[N+]([O-])C(CO)(CO)CO
InChIInChI=1S/C4H9NO5.C3H8Si/c6-1-4(2-7,3-8)5(9)10;1-2-3-4/h6-8H,1-3H2;2H,1,3H2,4H3
InChIKeyWIEBQXHBIJMRDU-UHFFFAOYSA-N
XLogP-2.07
TPSA103.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 5-2.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 174619786
CID 174619786
ethanamine;2-(hydroxymethyl)-2-nitropropane-1,3-diol
CID 174743250
2-(hydroxymethyl)-2-nitropropane-1,3-diol;pentanedial
CID 87467041
1,1'-biphenyl;2-(hydroxymethyl)-2-nitropropane-1,3-diol
CID 161424002
2-(2-methylpropyl)-2-nitropropane-1,3-diol
CID 2783847
2-(hydroxymethyl)-2-nitropropane-1,3-diol;phenylphosphane
CID 174603848
2-nitro-2-pentylheptan-1-ol
CID 87201094
2-nitro-2-prop-1-en-2-ylpropane-1,3-diol
CID 102249478
2-hexyl-2-nitrononan-1-ol
CID 87201075
2-butyl-2-nitroheptan-1-ol
CID 87201188
2-nitro-2-propyloctan-1-ol
CID 87201120
2-ethyl-2-nitropropane-1,3-diol;hexane-1,6-diamine
CID 131729996

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-nitropropane-1,3-diol;prop-2-enylsilane?
The IUPAC name of 2-(hydroxymethyl)-2-nitropropane-1,3-diol;prop-2-enylsilane (CID 174453521) is 2-(hydroxymethyl)-2-nitropropane-1,3-diol;prop-2-enylsilane.
What is the SMILES notation for 2-(hydroxymethyl)-2-nitropropane-1,3-diol;prop-2-enylsilane?
The canonical SMILES for 2-(hydroxymethyl)-2-nitropropane-1,3-diol;prop-2-enylsilane is C=CC[SiH3].O=[N+]([O-])C(CO)(CO)CO.
What is the InChIKey of 2-(hydroxymethyl)-2-nitropropane-1,3-diol;prop-2-enylsilane?
The InChIKey is WIEBQXHBIJMRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO5.C3H8Si/c6-1-4(2-7,3-8)5(9)10;1-2-3-4/h6-8H,1-3H2;2H,1,3H2,4H3.
What are the key properties of 2-(hydroxymethyl)-2-nitropropane-1,3-diol;prop-2-enylsilane?
2-(hydroxymethyl)-2-nitropropane-1,3-diol;prop-2-enylsilane has a molecular weight of 223.30 g/mol, XLogP of -2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-nitropropane-1,3-diol;prop-2-enylsilane is sourced from PubChem (CID 174453521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).