3-[(2S,5S)-3-methylidene-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-2-yl]propanal

C20H38O3Si — CID 42604197

IUPAC3-[(2S,5S)-3-methylidene-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-2-yl]propanal
SMILESC=C1C[C@H](CCCO[Si](C(C)C)(C(C)C)C(C)C)O[C@H]1CCC=O
InChIInChI=1S/C20H38O3Si/c1-15(2)24(16(3)4,17(5)6)22-13-9-10-19-14-18(7)20(23-19)11-8-12-21/h12,15-17,19-20H,7-11,13-14H2,1-6H3/t19-,20-/m0/s1
InChIKeyAAPMAGYESNCPJW-PMACEKPBSA-N
MW354.61 g/mol
LogP5.65
Rot. Bonds11

About 3-[(2S,5S)-3-methylidene-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-2-yl]propanal

3-[(2S,5S)-3-methylidene-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-2-yl]propanal (PubChem CID 42604197) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is 3-[(2S,5S)-3-methylidene-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-2-yl]propanal.

Molecular Properties

Compound Name3-[(2S,5S)-3-methylidene-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-2-yl]propanal
PubChem CID42604197
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Name3-[(2S,5S)-3-methylidene-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-2-yl]propanal
SMILESC=C1C[C@H](CCCO[Si](C(C)C)(C(C)C)C(C)C)O[C@H]1CCC=O
InChIInChI=1S/C20H38O3Si/c1-15(2)24(16(3)4,17(5)6)22-13-9-10-19-14-18(7)20(23-19)11-8-12-21/h12,15-17,19-20H,7-11,13-14H2,1-6H3/t19-,20-/m0/s1
InChIKeyAAPMAGYESNCPJW-PMACEKPBSA-N
XLogP5.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(2S,5S)-3-methylidene-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-2-yl]propanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,5S)-3-methylidene-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-2-yl]propanal?
The IUPAC name of 3-[(2S,5S)-3-methylidene-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-2-yl]propanal (CID 42604197) is 3-[(2S,5S)-3-methylidene-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-2-yl]propanal.
What is the SMILES notation for 3-[(2S,5S)-3-methylidene-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-2-yl]propanal?
The canonical SMILES for 3-[(2S,5S)-3-methylidene-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-2-yl]propanal is C=C1C[C@H](CCCO[Si](C(C)C)(C(C)C)C(C)C)O[C@H]1CCC=O.
What is the InChIKey of 3-[(2S,5S)-3-methylidene-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-2-yl]propanal?
The InChIKey is AAPMAGYESNCPJW-PMACEKPBSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-15(2)24(16(3)4,17(5)6)22-13-9-10-19-14-18(7)20(23-19)11-8-12-21/h12,15-17,19-20H,7-11,13-14H2,1-6H3/t19-,20-/m0/s1.
What are the key properties of 3-[(2S,5S)-3-methylidene-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-2-yl]propanal?
3-[(2S,5S)-3-methylidene-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-2-yl]propanal has a molecular weight of 354.61 g/mol, XLogP of 5.65, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,5S)-3-methylidene-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-2-yl]propanal is sourced from PubChem (CID 42604197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).