1-trimethoxysilylpropan-2-yl carbamate

C7H17NO5Si — CID 175411103

IUPAC1-trimethoxysilylpropan-2-yl carbamate
SMILESCO[Si](CC(C)OC(N)=O)(OC)OC
InChIInChI=1S/C7H17NO5Si/c1-6(13-7(8)9)5-14(10-2,11-3)12-4/h6H,5H2,1-4H3,(H2,8,9)
InChIKeyMFPCEXKGSZCKAA-UHFFFAOYSA-N
MW223.30 g/mol
LogP0.35
Rot. Bonds6

About 1-trimethoxysilylpropan-2-yl carbamate

1-trimethoxysilylpropan-2-yl carbamate (PubChem CID 175411103) has the molecular formula C7H17NO5Si and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-trimethoxysilylpropan-2-yl carbamate.

Molecular Properties

Compound Name1-trimethoxysilylpropan-2-yl carbamate
PubChem CID175411103
Molecular FormulaC7H17NO5Si
Molecular Weight223.30 g/mol
Exact Mass223.09
IUPAC Name1-trimethoxysilylpropan-2-yl carbamate
SMILESCO[Si](CC(C)OC(N)=O)(OC)OC
InChIInChI=1S/C7H17NO5Si/c1-6(13-7(8)9)5-14(10-2,11-3)12-4/h6H,5H2,1-4H3,(H2,8,9)
InChIKeyMFPCEXKGSZCKAA-UHFFFAOYSA-N
XLogP0.35
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-trimethoxysilylpropan-2-yl 2-aminoacetate
CID 87438269
[(2S)-2-carbamoyloxypropyl]-trimethylazanium chloride
CID 45266828
methyl N-(2-carbamoyloxypropyl)carbamate
CID 140629803
4-oxobutan-2-yl carbamate
CID 87311597
4,4-dichlorobutan-2-yl carbamate
CID 88641274
ethyl 3-carbamoyloxybutanoate
CID 88785770
2-(trimethoxysilylmethyl)pent-3-ynyl carbamate
CID 153447859
[(2R)-5-trimethylsilylpent-4-yn-2-yl] carbamate
CID 175398792
[(2R)-4-trimethoxysilylbutan-2-yl] prop-2-enoate
CID 141155203
(4-imidazol-1-yl-4-oxobutan-2-yl) carbamate
CID 175422080
4-methylsulfonylbutan-2-yl carbamate
CID 175546950
dodecan-2-yl carbamate
CID 87166225

Frequently Asked Questions

What is the IUPAC name of 1-trimethoxysilylpropan-2-yl carbamate?
The IUPAC name of 1-trimethoxysilylpropan-2-yl carbamate (CID 175411103) is 1-trimethoxysilylpropan-2-yl carbamate.
What is the SMILES notation for 1-trimethoxysilylpropan-2-yl carbamate?
The canonical SMILES for 1-trimethoxysilylpropan-2-yl carbamate is CO[Si](CC(C)OC(N)=O)(OC)OC.
What is the InChIKey of 1-trimethoxysilylpropan-2-yl carbamate?
The InChIKey is MFPCEXKGSZCKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO5Si/c1-6(13-7(8)9)5-14(10-2,11-3)12-4/h6H,5H2,1-4H3,(H2,8,9).
What are the key properties of 1-trimethoxysilylpropan-2-yl carbamate?
1-trimethoxysilylpropan-2-yl carbamate has a molecular weight of 223.30 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethoxysilylpropan-2-yl carbamate is sourced from PubChem (CID 175411103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).