2-(trimethoxysilylmethyl)pent-3-ynyl carbamate

C10H19NO5Si — CID 153447859

IUPAC2-(trimethoxysilylmethyl)pent-3-ynyl carbamate
SMILESCC#CC(COC(N)=O)C[Si](OC)(OC)OC
InChIInChI=1S/C10H19NO5Si/c1-5-6-9(7-16-10(11)12)8-17(13-2,14-3)15-4/h9H,7-8H2,1-4H3,(H2,11,12)
InChIKeyRZLIDMFUDVRNQV-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.60
Rot. Bonds7

About 2-(trimethoxysilylmethyl)pent-3-ynyl carbamate

2-(trimethoxysilylmethyl)pent-3-ynyl carbamate (PubChem CID 153447859) has the molecular formula C10H19NO5Si and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(trimethoxysilylmethyl)pent-3-ynyl carbamate.

Molecular Properties

Compound Name2-(trimethoxysilylmethyl)pent-3-ynyl carbamate
PubChem CID153447859
Molecular FormulaC10H19NO5Si
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC Name2-(trimethoxysilylmethyl)pent-3-ynyl carbamate
SMILESCC#CC(COC(N)=O)C[Si](OC)(OC)OC
InChIInChI=1S/C10H19NO5Si/c1-5-6-9(7-16-10(11)12)8-17(13-2,14-3)15-4/h9H,7-8H2,1-4H3,(H2,11,12)
InChIKeyRZLIDMFUDVRNQV-UHFFFAOYSA-N
XLogP0.60
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(trimethoxysilylmethyl)pent-3-ynyl carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-trimethoxysilylpropan-2-yl carbamate
CID 175411103
1-(2-hydroxy-3-trimethoxysilylpropoxy)-3-trimethoxysilylpropan-2-ol
CID 57057803
2-iodopropyl carbamate
CID 87289235
1-trimethoxysilylpropan-2-yl 2-aminoacetate
CID 87438269
[ditert-butyl(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate
CID 155659391
[4-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate
CID 87369702
carbamic acid;2-trimethoxysilylethanol
CID 174807168
[butan-2-yl-di(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate
CID 155659251
amino 3-carbamoyloxy-2-methylpropanoate
CID 147855282
[(2R)-2-hydroxy-3,3-dimethylbutyl] carbamate
CID 175027230
5-iodohept-2-yn-4-yl carbamate
CID 175439603
CID 175543701
CID 175543701

Frequently Asked Questions

What is the IUPAC name of 2-(trimethoxysilylmethyl)pent-3-ynyl carbamate?
The IUPAC name of 2-(trimethoxysilylmethyl)pent-3-ynyl carbamate (CID 153447859) is 2-(trimethoxysilylmethyl)pent-3-ynyl carbamate.
What is the SMILES notation for 2-(trimethoxysilylmethyl)pent-3-ynyl carbamate?
The canonical SMILES for 2-(trimethoxysilylmethyl)pent-3-ynyl carbamate is CC#CC(COC(N)=O)C[Si](OC)(OC)OC.
What is the InChIKey of 2-(trimethoxysilylmethyl)pent-3-ynyl carbamate?
The InChIKey is RZLIDMFUDVRNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5Si/c1-5-6-9(7-16-10(11)12)8-17(13-2,14-3)15-4/h9H,7-8H2,1-4H3,(H2,11,12).
What are the key properties of 2-(trimethoxysilylmethyl)pent-3-ynyl carbamate?
2-(trimethoxysilylmethyl)pent-3-ynyl carbamate has a molecular weight of 261.35 g/mol, XLogP of 0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trimethoxysilylmethyl)pent-3-ynyl carbamate is sourced from PubChem (CID 153447859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).