1-(1-but-3-en-2-yloxyethoxy)ethyl N-(3-triethoxysilylpropyl)carbamate

C18H37NO7Si — CID 175153550

IUPAC1-(1-but-3-en-2-yloxyethoxy)ethyl N-(3-triethoxysilylpropyl)carbamate
SMILESC=CC(C)OC(C)OC(C)OC(=O)NCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C18H37NO7Si/c1-8-15(5)24-16(6)25-17(7)26-18(20)19-13-12-14-27(21-9-2,22-10-3)23-11-4/h8,15-17H,1,9-14H2,2-7H3,(H,19,20)
InChIKeyAMPIDECJWNFWPK-UHFFFAOYSA-N
MW407.58 g/mol
LogP3.45
Rot. Bonds16

About 1-(1-but-3-en-2-yloxyethoxy)ethyl N-(3-triethoxysilylpropyl)carbamate

1-(1-but-3-en-2-yloxyethoxy)ethyl N-(3-triethoxysilylpropyl)carbamate (PubChem CID 175153550) has the molecular formula C18H37NO7Si and a molecular weight of 407.58 g/mol. Its IUPAC name is 1-(1-but-3-en-2-yloxyethoxy)ethyl N-(3-triethoxysilylpropyl)carbamate.

Molecular Properties

Compound Name1-(1-but-3-en-2-yloxyethoxy)ethyl N-(3-triethoxysilylpropyl)carbamate
PubChem CID175153550
Molecular FormulaC18H37NO7Si
Molecular Weight407.58 g/mol
Exact Mass407.23
IUPAC Name1-(1-but-3-en-2-yloxyethoxy)ethyl N-(3-triethoxysilylpropyl)carbamate
SMILESC=CC(C)OC(C)OC(C)OC(=O)NCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C18H37NO7Si/c1-8-15(5)24-16(6)25-17(7)26-18(20)19-13-12-14-27(21-9-2,22-10-3)23-11-4/h8,15-17H,1,9-14H2,2-7H3,(H,19,20)
InChIKeyAMPIDECJWNFWPK-UHFFFAOYSA-N
XLogP3.45
TPSA84.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(1-but-3-en-2-yloxyethoxy)ethyl N-(3-triethoxysilylpropyl)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

propan-2-yl N-(3-triethoxysilylpropyl)carbamate
CID 87069299
N-[3-[diethoxy(propan-2-yloxy)silyl]propyl]prop-2-enamide
CID 141007708
1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea
CID 87657796
prop-2-ynyl N-(3-triethoxysilylpropyl)carbamoperoxoate
CID 90477209
silane;3-triethoxysilylpropylurea
CID 161180470
2-amino-N-(3-triethoxysilylpropyl)acetamide
CID 59561209
N-(3-triethoxysilylpropyl)hexanamide
CID 71321496
heptadecyl N-(3-triethoxysilylpropyl)carbamate
CID 102190904
octadecyl N-(3-triethoxysilylpropyl)carbamate
CID 58802948
[3-oxo-3-(3-triethoxysilylpropylamino)propyl] N-(3-triethoxysilylpropyl)carbamate
CID 123219063
[3-(butan-2-ylamino)-3-oxopropyl] N-(3-triethoxysilylpropyl)carbamate
CID 59582714
N-(3-triethoxysilylpropyl)butanamide
CID 20829613

Frequently Asked Questions

What is the IUPAC name of 1-(1-but-3-en-2-yloxyethoxy)ethyl N-(3-triethoxysilylpropyl)carbamate?
The IUPAC name of 1-(1-but-3-en-2-yloxyethoxy)ethyl N-(3-triethoxysilylpropyl)carbamate (CID 175153550) is 1-(1-but-3-en-2-yloxyethoxy)ethyl N-(3-triethoxysilylpropyl)carbamate.
What is the SMILES notation for 1-(1-but-3-en-2-yloxyethoxy)ethyl N-(3-triethoxysilylpropyl)carbamate?
The canonical SMILES for 1-(1-but-3-en-2-yloxyethoxy)ethyl N-(3-triethoxysilylpropyl)carbamate is C=CC(C)OC(C)OC(C)OC(=O)NCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of 1-(1-but-3-en-2-yloxyethoxy)ethyl N-(3-triethoxysilylpropyl)carbamate?
The InChIKey is AMPIDECJWNFWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO7Si/c1-8-15(5)24-16(6)25-17(7)26-18(20)19-13-12-14-27(21-9-2,22-10-3)23-11-4/h8,15-17H,1,9-14H2,2-7H3,(H,19,20).
What are the key properties of 1-(1-but-3-en-2-yloxyethoxy)ethyl N-(3-triethoxysilylpropyl)carbamate?
1-(1-but-3-en-2-yloxyethoxy)ethyl N-(3-triethoxysilylpropyl)carbamate has a molecular weight of 407.58 g/mol, XLogP of 3.45, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-but-3-en-2-yloxyethoxy)ethyl N-(3-triethoxysilylpropyl)carbamate is sourced from PubChem (CID 175153550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).