(5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-dimethylfuran-2-one

C15H28O3Si — CID 11129833

IUPAC(5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-dimethylfuran-2-one
SMILESCC1=C[C@](C)(CCCO[Si](C)(C)C(C)(C)C)OC1=O
InChIInChI=1S/C15H28O3Si/c1-12-11-15(5,18-13(12)16)9-8-10-17-19(6,7)14(2,3)4/h11H,8-10H2,1-7H3/t15-/m0/s1
InChIKeyUDNOIPPBUVHEGF-HNNXBMFYSA-N
MW284.47 g/mol
LogP4.05
Rot. Bonds5

About (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-dimethylfuran-2-one

(5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-dimethylfuran-2-one (PubChem CID 11129833) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-dimethylfuran-2-one.

Molecular Properties

Compound Name(5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-dimethylfuran-2-one
PubChem CID11129833
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name(5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-dimethylfuran-2-one
SMILESCC1=C[C@](C)(CCCO[Si](C)(C)C(C)(C)C)OC1=O
InChIInChI=1S/C15H28O3Si/c1-12-11-15(5,18-13(12)16)9-8-10-17-19(6,7)14(2,3)4/h11H,8-10H2,1-7H3/t15-/m0/s1
InChIKeyUDNOIPPBUVHEGF-HNNXBMFYSA-N
XLogP4.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-dimethylfuran-2-one 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

methyl (E)-3-methyl-6-triethylsilyloxyhex-2-enoate
CID 101521912
Ethyl (2e,5s)-7-{[t-butyl(dimethyl)silyl]oxy}-methyl-5-methylocta-2,7-dienoate
CID 129758203
methyl (E,5R)-6-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhex-2-enoate
CID 134963638
methyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate
CID 134983282
methyl (Z)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate
CID 134983433
ethyl (Z)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate
CID 154722964
ethyl (2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxycyclopentylidene]acetate
CID 14435493
(E)-ethyl 7-(tert-butyldimethylsiloxy)-2-methyl-2-heptenate
CID 11055704
3-(3-Triethoxysilylpropyl)furan-2,5-dione
CID 17801802
ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-2-enoate
CID 21771056
tert-butyl (E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoate
CID 45113372
Ethyl 7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate
CID 85382435

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-dimethylfuran-2-one?
The IUPAC name of (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-dimethylfuran-2-one (CID 11129833) is (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-dimethylfuran-2-one.
What is the SMILES notation for (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-dimethylfuran-2-one?
The canonical SMILES for (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-dimethylfuran-2-one is CC1=C[C@](C)(CCCO[Si](C)(C)C(C)(C)C)OC1=O.
What is the InChIKey of (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-dimethylfuran-2-one?
The InChIKey is UDNOIPPBUVHEGF-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-12-11-15(5,18-13(12)16)9-8-10-17-19(6,7)14(2,3)4/h11H,8-10H2,1-7H3/t15-/m0/s1.
What are the key properties of (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-dimethylfuran-2-one?
(5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-dimethylfuran-2-one has a molecular weight of 284.47 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-dimethylfuran-2-one is sourced from PubChem (CID 11129833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).