4-(2,2-dipropoxyethylsilyl)butyl prop-2-enoate

C15H30O4Si — CID 151173811

IUPAC4-(2,2-dipropoxyethylsilyl)butyl prop-2-enoate
SMILESC=CC(=O)OCCCC[SiH2]CC(OCCC)OCCC
InChIInChI=1S/C15H30O4Si/c1-4-9-18-15(19-10-5-2)13-20-12-8-7-11-17-14(16)6-3/h6,15H,3-5,7-13,20H2,1-2H3
InChIKeyNCVOWVBMPVLGCR-UHFFFAOYSA-N
MW302.49 g/mol
LogP2.68
Rot. Bonds14

About 4-(2,2-dipropoxyethylsilyl)butyl prop-2-enoate

4-(2,2-dipropoxyethylsilyl)butyl prop-2-enoate (PubChem CID 151173811) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is 4-(2,2-dipropoxyethylsilyl)butyl prop-2-enoate.

Molecular Properties

Compound Name4-(2,2-dipropoxyethylsilyl)butyl prop-2-enoate
PubChem CID151173811
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name4-(2,2-dipropoxyethylsilyl)butyl prop-2-enoate
SMILESC=CC(=O)OCCCC[SiH2]CC(OCCC)OCCC
InChIInChI=1S/C15H30O4Si/c1-4-9-18-15(19-10-5-2)13-20-12-8-7-11-17-14(16)6-3/h6,15H,3-5,7-13,20H2,1-2H3
InChIKeyNCVOWVBMPVLGCR-UHFFFAOYSA-N
XLogP2.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-(2,2-dipropoxyethylsilyl)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

5-(2,2-dimethoxyethylsilyl)pentyl prop-2-enoate
CID 154270296
2-(2,2-diethoxyethylsilyl)ethyl prop-2-enoate
CID 154323498
pentyl prop-2-enoate;propyl prop-2-enoate
CID 175293000
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
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
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
decyl prop-2-enoate
CID 162172023
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
azane;octyl prop-2-enoate
CID 175482602
hexadecyl prop-2-enoate;hydrofluoride
CID 159337716

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dipropoxyethylsilyl)butyl prop-2-enoate?
The IUPAC name of 4-(2,2-dipropoxyethylsilyl)butyl prop-2-enoate (CID 151173811) is 4-(2,2-dipropoxyethylsilyl)butyl prop-2-enoate.
What is the SMILES notation for 4-(2,2-dipropoxyethylsilyl)butyl prop-2-enoate?
The canonical SMILES for 4-(2,2-dipropoxyethylsilyl)butyl prop-2-enoate is C=CC(=O)OCCCC[SiH2]CC(OCCC)OCCC.
What is the InChIKey of 4-(2,2-dipropoxyethylsilyl)butyl prop-2-enoate?
The InChIKey is NCVOWVBMPVLGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-4-9-18-15(19-10-5-2)13-20-12-8-7-11-17-14(16)6-3/h6,15H,3-5,7-13,20H2,1-2H3.
What are the key properties of 4-(2,2-dipropoxyethylsilyl)butyl prop-2-enoate?
4-(2,2-dipropoxyethylsilyl)butyl prop-2-enoate has a molecular weight of 302.49 g/mol, XLogP of 2.68, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dipropoxyethylsilyl)butyl prop-2-enoate is sourced from PubChem (CID 151173811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).