(5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-one

C26H52O3Si — CID 134939638

IUPAC(5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-one
SMILESCCCCCCCCCCCC[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1CCC(=O)O1
InChIInChI=1S/C26H52O3Si/c1-8-9-10-11-12-13-14-15-16-17-18-25(24-19-20-26(27)28-24)29-30(21(2)3,22(4)5)23(6)7/h21-25H,8-20H2,1-7H3/t24-,25-/m1/s1
InChIKeyXTECGORVNLERPU-JWQCQUIFSA-N
MW440.79 g/mol
LogP8.56
Rot. Bonds17

About (5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-one

(5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-one (PubChem CID 134939638) has the molecular formula C26H52O3Si and a molecular weight of 440.79 g/mol. Its IUPAC name is (5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-one
PubChem CID134939638
Molecular FormulaC26H52O3Si
Molecular Weight440.79 g/mol
Exact Mass440.37
IUPAC Name(5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-one
SMILESCCCCCCCCCCCC[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1CCC(=O)O1
InChIInChI=1S/C26H52O3Si/c1-8-9-10-11-12-13-14-15-16-17-18-25(24-19-20-26(27)28-24)29-30(21(2)3,22(4)5)23(6)7/h21-25H,8-20H2,1-7H3/t24-,25-/m1/s1
InChIKeyXTECGORVNLERPU-JWQCQUIFSA-N
XLogP8.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.79
LogP ≤ 58.56
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 5-trimethylsilyloxyeicosanoate
CID 129726579
(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 (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoate
CID 166449043
(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-one
CID 10597039
(5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropyl]oxolan-2-one
CID 58570960
9-[Tert-butyl(dimethyl)silyl]oxy-9-(oxolan-2-yl)nonanoic acid
CID 70006184
Methyl 9-[tert-butyl(dimethyl)silyl]oxy-9-(oxolan-2-yl)nonanoate
CID 70010865
methyl (9R)-9-[tert-butyl(dimethyl)silyl]oxy-9-(oxolan-2-yl)nonanoate
CID 70010866
[2-[(2R,3R,4R)-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyethyl] dodecanoate
CID 153303543

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-one?
The IUPAC name of (5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-one (CID 134939638) is (5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-one?
The canonical SMILES for (5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-one is CCCCCCCCCCCC[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1CCC(=O)O1.
What is the InChIKey of (5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-one?
The InChIKey is XTECGORVNLERPU-JWQCQUIFSA-N. The full InChI is InChI=1S/C26H52O3Si/c1-8-9-10-11-12-13-14-15-16-17-18-25(24-19-20-26(27)28-24)29-30(21(2)3,22(4)5)23(6)7/h21-25H,8-20H2,1-7H3/t24-,25-/m1/s1.
What are the key properties of (5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-one?
(5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-one has a molecular weight of 440.79 g/mol, XLogP of 8.56, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-one is sourced from PubChem (CID 134939638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).