(5R)-5-[4-tri(propan-2-yl)silyloxybutyl]oxolan-2-one

C17H34O3Si — CID 11370458

IUPAC(5R)-5-[4-tri(propan-2-yl)silyloxybutyl]oxolan-2-one
SMILESCC(C)[Si](OCCCC[C@@H]1CCC(=O)O1)(C(C)C)C(C)C
InChIInChI=1S/C17H34O3Si/c1-13(2)21(14(3)4,15(5)6)19-12-8-7-9-16-10-11-17(18)20-16/h13-16H,7-12H2,1-6H3/t16-/m1/s1
InChIKeyMDXJTBZWDISALP-MRXNPFEDSA-N
MW314.54 g/mol
LogP5.05
Rot. Bonds9

About (5R)-5-[4-tri(propan-2-yl)silyloxybutyl]oxolan-2-one

(5R)-5-[4-tri(propan-2-yl)silyloxybutyl]oxolan-2-one (PubChem CID 11370458) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is (5R)-5-[4-tri(propan-2-yl)silyloxybutyl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[4-tri(propan-2-yl)silyloxybutyl]oxolan-2-one
PubChem CID11370458
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name(5R)-5-[4-tri(propan-2-yl)silyloxybutyl]oxolan-2-one
SMILESCC(C)[Si](OCCCC[C@@H]1CCC(=O)O1)(C(C)C)C(C)C
InChIInChI=1S/C17H34O3Si/c1-13(2)21(14(3)4,15(5)6)19-12-8-7-9-16-10-11-17(18)20-16/h13-16H,7-12H2,1-6H3/t16-/m1/s1
InChIKeyMDXJTBZWDISALP-MRXNPFEDSA-N
XLogP5.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.54
LogP ≤ 55.05
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'}

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Related Compounds

methyl (5R)-5-trimethylsilyloxyoctacosanoate
CID 162871788
Methyl 5-trimethylsilyloxyeicosanoate
CID 129726579
11-Hydroxy-arachidic, methyl ester, tBDMS ether
CID 526770
9-Hydroxy-stearic acid, methyl ester, tBDMS ether
CID 526774
8-Hydroxy-arachidic, methyl ester, tBDMS ether
CID 526784
methyl (3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2S)-5-oxooxolan-2-yl]hexanoate
CID 14262402
ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxynonanoate
CID 54576108
5-(2-Trimethylsilyloxypropyl)dihydro-2(3h)furanone
CID 129691952
(5S)-5-[(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl]oxolan-2-one
CID 134872932
(5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-one
CID 134939638
ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoate
CID 166449043
8-Hydroxy-heptadecanoic acid, methyl ester, tBDMS ether
CID 526771

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-tri(propan-2-yl)silyloxybutyl]oxolan-2-one?
The IUPAC name of (5R)-5-[4-tri(propan-2-yl)silyloxybutyl]oxolan-2-one (CID 11370458) is (5R)-5-[4-tri(propan-2-yl)silyloxybutyl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[4-tri(propan-2-yl)silyloxybutyl]oxolan-2-one?
The canonical SMILES for (5R)-5-[4-tri(propan-2-yl)silyloxybutyl]oxolan-2-one is CC(C)[Si](OCCCC[C@@H]1CCC(=O)O1)(C(C)C)C(C)C.
What is the InChIKey of (5R)-5-[4-tri(propan-2-yl)silyloxybutyl]oxolan-2-one?
The InChIKey is MDXJTBZWDISALP-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-13(2)21(14(3)4,15(5)6)19-12-8-7-9-16-10-11-17(18)20-16/h13-16H,7-12H2,1-6H3/t16-/m1/s1.
What are the key properties of (5R)-5-[4-tri(propan-2-yl)silyloxybutyl]oxolan-2-one?
(5R)-5-[4-tri(propan-2-yl)silyloxybutyl]oxolan-2-one has a molecular weight of 314.54 g/mol, XLogP of 5.05, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-tri(propan-2-yl)silyloxybutyl]oxolan-2-one is sourced from PubChem (CID 11370458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).