(2E)-2-[(5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]oxolan-3-ylidene]acetaldehyde

C16H28O4Si — CID 10615044

IUPAC(2E)-2-[(5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]oxolan-3-ylidene]acetaldehyde
SMILESCC(C)[Si](OC[C@@H]1C/C(=C\C=O)C(=O)O1)(C(C)C)C(C)C
InChIInChI=1S/C16H28O4Si/c1-11(2)21(12(3)4,13(5)6)19-10-15-9-14(7-8-17)16(18)20-15/h7-8,11-13,15H,9-10H2,1-6H3/b14-7+/t15-/m0/s1
InChIKeyDIMLOLVNMUTOGX-LULHVWEPSA-N
MW312.48 g/mol
LogP3.62
Rot. Bonds7

About (2E)-2-[(5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]oxolan-3-ylidene]acetaldehyde

(2E)-2-[(5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]oxolan-3-ylidene]acetaldehyde (PubChem CID 10615044) has the molecular formula C16H28O4Si and a molecular weight of 312.48 g/mol. Its IUPAC name is (2E)-2-[(5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]oxolan-3-ylidene]acetaldehyde.

Molecular Properties

Compound Name(2E)-2-[(5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]oxolan-3-ylidene]acetaldehyde
PubChem CID10615044
Molecular FormulaC16H28O4Si
Molecular Weight312.48 g/mol
Exact Mass312.18
IUPAC Name(2E)-2-[(5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]oxolan-3-ylidene]acetaldehyde
SMILESCC(C)[Si](OC[C@@H]1C/C(=C\C=O)C(=O)O1)(C(C)C)C(C)C
InChIInChI=1S/C16H28O4Si/c1-11(2)21(12(3)4,13(5)6)19-10-15-9-14(7-8-17)16(18)20-15/h7-8,11-13,15H,9-10H2,1-6H3/b14-7+/t15-/m0/s1
InChIKeyDIMLOLVNMUTOGX-LULHVWEPSA-N
XLogP3.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2E)-2-[(5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]oxolan-3-ylidene]acetaldehyde 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

(4E)-4-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxooxolan-3-ylidene]-2,2-dimethylbutanal
CID 10979895
(3E)-3-[(3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butylidene]oxolan-2-one
CID 25137599
[(E,2R,3S,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2S)-5-oxooxolan-2-yl]hex-4-en-3-yl] (E)-but-2-enoate
CID 154708344
(3E)-3-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butylidene]oxolan-2-one
CID 102079564
(3E,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-3-propylideneoxolan-2-one
CID 174036209
4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-furan-4-yl]butanal
CID 10614042
(3E,5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-methyloxolan-2-one
CID 10868916
(3Z,5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-methyloxolan-2-one
CID 10956196
(4E)-4-[4-[tert-butyl(dimethyl)silyl]oxy-2-oxooxolan-3-ylidene]-2,2-dimethylbutanal
CID 21581904
(3E,5R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-5-(2-methylprop-1-enyl)oxolan-2-one
CID 25233716
(3E,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylideneoxolan-2-one
CID 99771676
(3E,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylideneoxolan-2-one
CID 99771677

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]oxolan-3-ylidene]acetaldehyde?
The IUPAC name of (2E)-2-[(5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]oxolan-3-ylidene]acetaldehyde (CID 10615044) is (2E)-2-[(5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]oxolan-3-ylidene]acetaldehyde.
What is the SMILES notation for (2E)-2-[(5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]oxolan-3-ylidene]acetaldehyde?
The canonical SMILES for (2E)-2-[(5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]oxolan-3-ylidene]acetaldehyde is CC(C)[Si](OC[C@@H]1C/C(=C\C=O)C(=O)O1)(C(C)C)C(C)C.
What is the InChIKey of (2E)-2-[(5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]oxolan-3-ylidene]acetaldehyde?
The InChIKey is DIMLOLVNMUTOGX-LULHVWEPSA-N. The full InChI is InChI=1S/C16H28O4Si/c1-11(2)21(12(3)4,13(5)6)19-10-15-9-14(7-8-17)16(18)20-15/h7-8,11-13,15H,9-10H2,1-6H3/b14-7+/t15-/m0/s1.
What are the key properties of (2E)-2-[(5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]oxolan-3-ylidene]acetaldehyde?
(2E)-2-[(5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]oxolan-3-ylidene]acetaldehyde has a molecular weight of 312.48 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]oxolan-3-ylidene]acetaldehyde is sourced from PubChem (CID 10615044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).