(5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridec-12-enyl]oxolan-2-one

C23H44O3Si — CID 11338453

IUPAC(5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridec-12-enyl]oxolan-2-one
SMILESC=CCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CCC(=O)O1
InChIInChI=1S/C23H44O3Si/c1-7-8-9-10-11-12-13-14-15-16-17-21(20-18-19-22(24)25-20)26-27(5,6)23(2,3)4/h7,20-21H,1,8-19H2,2-6H3/t20-,21-/m1/s1
InChIKeySBRIJGAVTXDFRB-NHCUHLMSSA-N
MW396.69 g/mol
LogP7.17
Rot. Bonds14

About (5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridec-12-enyl]oxolan-2-one

(5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridec-12-enyl]oxolan-2-one (PubChem CID 11338453) has the molecular formula C23H44O3Si and a molecular weight of 396.69 g/mol. Its IUPAC name is (5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridec-12-enyl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridec-12-enyl]oxolan-2-one
PubChem CID11338453
Molecular FormulaC23H44O3Si
Molecular Weight396.69 g/mol
Exact Mass396.31
IUPAC Name(5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridec-12-enyl]oxolan-2-one
SMILESC=CCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CCC(=O)O1
InChIInChI=1S/C23H44O3Si/c1-7-8-9-10-11-12-13-14-15-16-17-21(20-18-19-22(24)25-20)26-27(5,6)23(2,3)4/h7,20-21H,1,8-19H2,2-6H3/t20-,21-/m1/s1
InChIKeySBRIJGAVTXDFRB-NHCUHLMSSA-N
XLogP7.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.69
LogP ≤ 57.17
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridec-12-enyl]oxolan-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

Ethyl 5,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-enoate
CID 101937869
(5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one
CID 154709334
12-(5-Ethyl-2-tetrahydrofuranyl)-12-trimethylsilyloxy-9(Z)-dodecenoic acid,methyl ester
CID 5366685
(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-one
CID 10597039
(5S)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxytridec-2-enyl]oxolan-2-one
CID 10596921
(5R)-5-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxytridec-2-enyl]oxolan-2-one
CID 10739555
(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-one
CID 10861594
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pent-4-enyloxolan-2-one
CID 11087335
5-[(2S,5S)-5-[(2S,5R)-5-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxyundec-4-enyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one
CID 11214370
(2R,3aR,7aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one
CID 11221975
(5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-one
CID 11280984
(2R,3aR,7aR)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one
CID 11290340

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridec-12-enyl]oxolan-2-one?
The IUPAC name of (5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridec-12-enyl]oxolan-2-one (CID 11338453) is (5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridec-12-enyl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridec-12-enyl]oxolan-2-one?
The canonical SMILES for (5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridec-12-enyl]oxolan-2-one is C=CCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CCC(=O)O1.
What is the InChIKey of (5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridec-12-enyl]oxolan-2-one?
The InChIKey is SBRIJGAVTXDFRB-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H44O3Si/c1-7-8-9-10-11-12-13-14-15-16-17-21(20-18-19-22(24)25-20)26-27(5,6)23(2,3)4/h7,20-21H,1,8-19H2,2-6H3/t20-,21-/m1/s1.
What are the key properties of (5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridec-12-enyl]oxolan-2-one?
(5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridec-12-enyl]oxolan-2-one has a molecular weight of 396.69 g/mol, XLogP of 7.17, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridec-12-enyl]oxolan-2-one is sourced from PubChem (CID 11338453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).