1-trimethylsilylpropan-2-yl nitrate

C6H15NO3Si — CID 142640310

IUPAC1-trimethylsilylpropan-2-yl nitrate
SMILESCC(C[Si](C)(C)C)O[N+](=O)[O-]
InChIInChI=1S/C6H15NO3Si/c1-6(10-7(8)9)5-11(2,3)4/h6H,5H2,1-4H3
InChIKeyMUYCLYMFCJATPE-UHFFFAOYSA-N
MW177.28 g/mol
LogP1.92
Rot. Bonds4

About 1-trimethylsilylpropan-2-yl nitrate

1-trimethylsilylpropan-2-yl nitrate (PubChem CID 142640310) has the molecular formula C6H15NO3Si and a molecular weight of 177.28 g/mol. Its IUPAC name is 1-trimethylsilylpropan-2-yl nitrate.

Molecular Properties

Compound Name1-trimethylsilylpropan-2-yl nitrate
PubChem CID142640310
Molecular FormulaC6H15NO3Si
Molecular Weight177.28 g/mol
Exact Mass177.08
IUPAC Name1-trimethylsilylpropan-2-yl nitrate
SMILESCC(C[Si](C)(C)C)O[N+](=O)[O-]
InChIInChI=1S/C6H15NO3Si/c1-6(10-7(8)9)5-11(2,3)4/h6H,5H2,1-4H3
InChIKeyMUYCLYMFCJATPE-UHFFFAOYSA-N
XLogP1.92
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.28
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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

[(2R,4R)-4-nitrooxypentan-2-yl] nitrate;hydrate
CID 165359880
4-hydroxybutan-2-yl nitrate
CID 122699892
5-methoxyhexan-2-yl nitrate
CID 20669423
5-methylheptan-2-yl nitrate
CID 139910400
1-(3-methylbutoxy)propan-2-yl nitrate
CID 59509516
3-methylbutan-2-yl (3R)-3-nitrooxybutanoate
CID 59614851
[(2S,3S)-3-hydroxybutan-2-yl] nitrate
CID 131435010
(1,4-dibromo-3-methylbutan-2-yl) nitrate
CID 18714886
7-nitrooxy-3-oxooctanoic acid
CID 87498204
1-chloroethyl [(3R)-3-nitrooxybutyl] carbonate
CID 59614875
2-(1-nitrooxypropan-2-yloxy)propyl nitrate
CID 142775716
1-chloropropyl nitrate
CID 18927537

Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilylpropan-2-yl nitrate?
The IUPAC name of 1-trimethylsilylpropan-2-yl nitrate (CID 142640310) is 1-trimethylsilylpropan-2-yl nitrate.
What is the SMILES notation for 1-trimethylsilylpropan-2-yl nitrate?
The canonical SMILES for 1-trimethylsilylpropan-2-yl nitrate is CC(C[Si](C)(C)C)O[N+](=O)[O-].
What is the InChIKey of 1-trimethylsilylpropan-2-yl nitrate?
The InChIKey is MUYCLYMFCJATPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3Si/c1-6(10-7(8)9)5-11(2,3)4/h6H,5H2,1-4H3.
What are the key properties of 1-trimethylsilylpropan-2-yl nitrate?
1-trimethylsilylpropan-2-yl nitrate has a molecular weight of 177.28 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilylpropan-2-yl nitrate is sourced from PubChem (CID 142640310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).