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
SMILESCCO[Si](CCCNC(=O)OC(C)OC(C)OC(C)C=C)(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
MW407.60 g/mol
LogP—
Rot. Bonds17

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 407.60 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 Weight407.60 g/mol
Exact Mass407.23
IUPAC Name1-(1-but-3-en-2-yloxyethoxy)ethyl N-(3-triethoxysilylpropyl)carbamate
SMILESCCO[Si](CCCNC(=O)OC(C)OC(C)OC(C)C=C)(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
XLogP—
TPSA84.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms27
Complexity394

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.60
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

1-(2-methylprop-2-enoxy)ethyl N-(1-triethoxysilylpropyl)carbamate
CID 87142560
(1-methoxy-3-prop-2-enoxypropan-2-yl) N-(3-triethoxysilylpropyl)carbamate
CID 123427207
2-(2-ethoxyethoxy)but-3-enyl N-(3-triethoxysilylpropyl)carbamate
CID 175153547

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 CCO[Si](CCCNC(=O)OC(C)OC(C)OC(C)C=C)(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 407.60 g/mol, XLogP of not available, 17 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).