but-3-ynyl N-(3-triethoxysilylpropyl)carbamate

C14H27NO5Si — CID 71441394

IUPACbut-3-ynyl N-(3-triethoxysilylpropyl)carbamate
SMILESC#CCCOC(=O)NCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H27NO5Si/c1-5-9-12-17-14(16)15-11-10-13-21(18-6-2,19-7-3)20-8-4/h1H,6-13H2,2-4H3,(H,15,16)
InChIKeyUFWDOUCLYKCBBC-UHFFFAOYSA-N
MW317.46 g/mol
LogP2.17
Rot. Bonds12

About but-3-ynyl N-(3-triethoxysilylpropyl)carbamate

but-3-ynyl N-(3-triethoxysilylpropyl)carbamate (PubChem CID 71441394) has the molecular formula C14H27NO5Si and a molecular weight of 317.46 g/mol. Its IUPAC name is but-3-ynyl N-(3-triethoxysilylpropyl)carbamate.

Molecular Properties

Compound Namebut-3-ynyl N-(3-triethoxysilylpropyl)carbamate
PubChem CID71441394
Molecular FormulaC14H27NO5Si
Molecular Weight317.46 g/mol
Exact Mass317.17
IUPAC Namebut-3-ynyl N-(3-triethoxysilylpropyl)carbamate
SMILESC#CCCOC(=O)NCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H27NO5Si/c1-5-9-12-17-14(16)15-11-10-13-21(18-6-2,19-7-3)20-8-4/h1H,6-13H2,2-4H3,(H,15,16)
InChIKeyUFWDOUCLYKCBBC-UHFFFAOYSA-N
XLogP2.17
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

octadecyl N-(3-triethoxysilylpropyl)carbamate
CID 58802948
[3-oxo-3-(3-triethoxysilylpropylamino)propyl] N-(3-triethoxysilylpropyl)carbamate
CID 123219063
heptadecyl N-(3-triethoxysilylpropyl)carbamate
CID 102190904
prop-2-ynyl N-(3-triethoxysilylpropyl)carbamate;1-prop-2-ynyl-3-(3-triethoxysilylpropyl)urea
CID 158429621
prop-2-ynyl N-(3-triethoxysilylpropyl)carbamoperoxoate
CID 90477209
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate
CID 102138334
6-(3-triethoxysilylpropylcarbamoyloxy)hexanoic acid
CID 58205270
[3-(butan-2-ylamino)-3-oxopropyl] N-(3-triethoxysilylpropyl)carbamate
CID 59582714
2-amino-N-(3-triethoxysilylpropyl)acetamide
CID 59561209
silane;3-triethoxysilylpropylurea
CID 161180470
ethyl N-but-3-ynylcarbamate
CID 22313149
propan-2-yl N-(3-triethoxysilylpropyl)carbamate
CID 87069299

Frequently Asked Questions

What is the IUPAC name of but-3-ynyl N-(3-triethoxysilylpropyl)carbamate?
The IUPAC name of but-3-ynyl N-(3-triethoxysilylpropyl)carbamate (CID 71441394) is but-3-ynyl N-(3-triethoxysilylpropyl)carbamate.
What is the SMILES notation for but-3-ynyl N-(3-triethoxysilylpropyl)carbamate?
The canonical SMILES for but-3-ynyl N-(3-triethoxysilylpropyl)carbamate is C#CCCOC(=O)NCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of but-3-ynyl N-(3-triethoxysilylpropyl)carbamate?
The InChIKey is UFWDOUCLYKCBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO5Si/c1-5-9-12-17-14(16)15-11-10-13-21(18-6-2,19-7-3)20-8-4/h1H,6-13H2,2-4H3,(H,15,16).
What are the key properties of but-3-ynyl N-(3-triethoxysilylpropyl)carbamate?
but-3-ynyl N-(3-triethoxysilylpropyl)carbamate has a molecular weight of 317.46 g/mol, XLogP of 2.17, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-ynyl N-(3-triethoxysilylpropyl)carbamate is sourced from PubChem (CID 71441394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).