(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-one

C23H46O3Si — CID 10597039

IUPAC(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-one
SMILESCCCCCCCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCC(=O)O1
InChIInChI=1S/C23H46O3Si/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/h20-21H,7-19H2,1-6H3/t20-,21-/m0/s1
InChIKeyNDONXPKZELEOFQ-SFTDATJTSA-N
MW398.70 g/mol
LogP7.39
Rot. Bonds14

About (5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-one

(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-one (PubChem CID 10597039) has the molecular formula C23H46O3Si and a molecular weight of 398.70 g/mol. Its IUPAC name is (5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-one
PubChem CID10597039
Molecular FormulaC23H46O3Si
Molecular Weight398.70 g/mol
Exact Mass398.32
IUPAC Name(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-one
SMILESCCCCCCCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCC(=O)O1
InChIInChI=1S/C23H46O3Si/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/h20-21H,7-19H2,1-6H3/t20-,21-/m0/s1
InChIKeyNDONXPKZELEOFQ-SFTDATJTSA-N
XLogP7.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.70
LogP ≤ 57.39
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'}

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Related Compounds

(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolane-2-carbaldehyde
CID 10024691
(5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-one
CID 10499676
(5R)-5-[4-tri(propan-2-yl)silyloxybutyl]oxolan-2-one
CID 11370458
methyl (3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2S)-5-oxooxolan-2-yl]hexanoate
CID 14262402
(5S)-5-[[tert-butyl(dimethyl)silyl]oxy-[(2S)-5-oxooxolan-2-yl]methyl]oxolan-2-one
CID 14658518
ethyl 3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 44515757
(3R,5S)-5-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-methyloxolan-2-one
CID 44604624
5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolane-2-carbaldehyde
CID 134864301
(5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-one
CID 134939638
(4S,5S)-4-butyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
CID 146021279
ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoate
CID 166449043
3-[(2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(4-oxobutyl)oxolan-2-yl]propyl 2,2-dimethylpropanoate
CID 178184687

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-one?
The IUPAC name of (5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-one (CID 10597039) is (5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-one is CCCCCCCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-one?
The InChIKey is NDONXPKZELEOFQ-SFTDATJTSA-N. The full InChI is InChI=1S/C23H46O3Si/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/h20-21H,7-19H2,1-6H3/t20-,21-/m0/s1.
What are the key properties of (5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-one?
(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-one has a molecular weight of 398.70 g/mol, XLogP of 7.39, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-one is sourced from PubChem (CID 10597039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).