(E)-3-[5-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoic acid

C17H32O5Si — CID 5366930

IUPAC(E)-3-[5-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoic acid
SMILESCC(CC1OC(C)(C)OC1/C=C/C(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O5Si/c1-12(22-23(7,8)16(2,3)4)11-14-13(9-10-15(18)19)20-17(5,6)21-14/h9-10,12-14H,11H2,1-8H3,(H,18,19)/b10-9+
InChIKeyFHFMZZMEAXGXNE-MDZDMXLPSA-N
MW344.52 g/mol
LogP3.95
Rot. Bonds6

About (E)-3-[5-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoic acid

(E)-3-[5-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoic acid (PubChem CID 5366930) has the molecular formula C17H32O5Si and a molecular weight of 344.52 g/mol. Its IUPAC name is (E)-3-[5-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[5-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoic acid
PubChem CID5366930
Molecular FormulaC17H32O5Si
Molecular Weight344.52 g/mol
Exact Mass344.20
IUPAC Name(E)-3-[5-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoic acid
SMILESCC(CC1OC(C)(C)OC1/C=C/C(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O5Si/c1-12(22-23(7,8)16(2,3)4)11-14-13(9-10-15(18)19)20-17(5,6)21-14/h9-10,12-14H,11H2,1-8H3,(H,18,19)/b10-9+
InChIKeyFHFMZZMEAXGXNE-MDZDMXLPSA-N
XLogP3.95
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-[5-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoic acid 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

(E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoic acid
CID 12192991
(4R,5S,E)-5-((tert-Butyldimethylsilyl)oxy)-4-((2-methoxyethoxy)methoxy)hex-2-enoic acid
CID 11002564
ethyl (E)-3-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1,3-dioxolan-4-yl]prop-2-enoate
CID 11416659
methyl (E,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-5-triethylsilyloxypent-2-enoate
CID 11624652
(2E,4Z,6E,8E,10E,12S,13S,15S)-13,15-bis[[tert-butyl(dimethyl)silyl]oxy]-12-(methoxymethoxy)-4,6,10-trimethylhexadeca-2,4,6,8,10-pentaenoic acid
CID 11650181
(2E,4E,6E,8E,10E,12S,13S,15S)-13,15-bis[[tert-butyl(dimethyl)silyl]oxy]-12-(methoxymethoxy)-4,6,10-trimethylhexadeca-2,4,6,8,10-pentaenoic acid
CID 11685860
ethyl (E)-3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 11727653
(13Z)-7-[tert-butyl(dimethyl)silyl]oxy-10-methyl-1,4,11-trioxaspiro[4.9]tetradec-13-en-12-one
CID 11760087
(E)-3-[(4R,5R)-5-[(2R)-2-[(E,5R)-5-hydroxyhex-2-enoyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoic acid
CID 12070766
ethyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 13006406
ethyl (E,5S,7R)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyoct-2-enoate
CID 24756275
(E,5R)-5-[(E,5S,7R)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyoct-2-enoyl]oxyhex-2-enoic acid
CID 24756330

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoic acid?
The IUPAC name of (E)-3-[5-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoic acid (CID 5366930) is (E)-3-[5-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[5-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[5-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoic acid is CC(CC1OC(C)(C)OC1/C=C/C(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-3-[5-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoic acid?
The InChIKey is FHFMZZMEAXGXNE-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H32O5Si/c1-12(22-23(7,8)16(2,3)4)11-14-13(9-10-15(18)19)20-17(5,6)21-14/h9-10,12-14H,11H2,1-8H3,(H,18,19)/b10-9+.
What are the key properties of (E)-3-[5-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoic acid?
(E)-3-[5-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoic acid has a molecular weight of 344.52 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoic acid is sourced from PubChem (CID 5366930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).