azane;4-(1,1,2-triethylsilinan-2-yl)butyl prop-2-enoate

C18H37NO2Si — CID 174873757

IUPACazane;4-(1,1,2-triethylsilinan-2-yl)butyl prop-2-enoate
SMILESC=CC(=O)OCCCCC1(CC)CCCC[Si]1(CC)CC.N
InChIInChI=1S/C18H34O2Si.H3N/c1-5-17(19)20-15-11-9-13-18(6-2)14-10-12-16-21(18,7-3)8-4;/h5H,1,6-16H2,2-4H3;1H3
InChIKeyFCDCIDANHROJDM-UHFFFAOYSA-N
MW327.59 g/mol
LogP5.87
Rot. Bonds9

About azane;4-(1,1,2-triethylsilinan-2-yl)butyl prop-2-enoate

azane;4-(1,1,2-triethylsilinan-2-yl)butyl prop-2-enoate (PubChem CID 174873757) has the molecular formula C18H37NO2Si and a molecular weight of 327.59 g/mol. Its IUPAC name is azane;4-(1,1,2-triethylsilinan-2-yl)butyl prop-2-enoate.

Molecular Properties

Compound Nameazane;4-(1,1,2-triethylsilinan-2-yl)butyl prop-2-enoate
PubChem CID174873757
Molecular FormulaC18H37NO2Si
Molecular Weight327.59 g/mol
Exact Mass327.26
IUPAC Nameazane;4-(1,1,2-triethylsilinan-2-yl)butyl prop-2-enoate
SMILESC=CC(=O)OCCCCC1(CC)CCCC[Si]1(CC)CC.N
InChIInChI=1S/C18H34O2Si.H3N/c1-5-17(19)20-15-11-9-13-18(6-2)14-10-12-16-21(18,7-3)8-4;/h5H,1,6-16H2,2-4H3;1H3
InChIKeyFCDCIDANHROJDM-UHFFFAOYSA-N
XLogP5.87
TPSA61.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.59
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze azane;4-(1,1,2-triethylsilinan-2-yl)butyl prop-2-enoate 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

azane;octyl prop-2-enoate
CID 175482602
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
decyl prop-2-enoate
CID 162172023
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
pentatriacontyl prop-2-enoate
CID 141309454
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
tetraethyl silicate;3-(1,1,2-trimethoxysilinan-2-yl)propyl prop-2-enoate
CID 175262529

Frequently Asked Questions

What is the IUPAC name of azane;4-(1,1,2-triethylsilinan-2-yl)butyl prop-2-enoate?
The IUPAC name of azane;4-(1,1,2-triethylsilinan-2-yl)butyl prop-2-enoate (CID 174873757) is azane;4-(1,1,2-triethylsilinan-2-yl)butyl prop-2-enoate.
What is the SMILES notation for azane;4-(1,1,2-triethylsilinan-2-yl)butyl prop-2-enoate?
The canonical SMILES for azane;4-(1,1,2-triethylsilinan-2-yl)butyl prop-2-enoate is C=CC(=O)OCCCCC1(CC)CCCC[Si]1(CC)CC.N.
What is the InChIKey of azane;4-(1,1,2-triethylsilinan-2-yl)butyl prop-2-enoate?
The InChIKey is FCDCIDANHROJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2Si.H3N/c1-5-17(19)20-15-11-9-13-18(6-2)14-10-12-16-21(18,7-3)8-4;/h5H,1,6-16H2,2-4H3;1H3.
What are the key properties of azane;4-(1,1,2-triethylsilinan-2-yl)butyl prop-2-enoate?
azane;4-(1,1,2-triethylsilinan-2-yl)butyl prop-2-enoate has a molecular weight of 327.59 g/mol, XLogP of 5.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-(1,1,2-triethylsilinan-2-yl)butyl prop-2-enoate is sourced from PubChem (CID 174873757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).