(5R)-5-[5-[tert-butyl(diphenyl)silyl]oxypent-1-ynyl]oxolan-2-one

C25H30O3Si — CID 56590729

IUPAC(5R)-5-[5-[tert-butyl(diphenyl)silyl]oxypent-1-ynyl]oxolan-2-one
SMILESCC(C)(C)[Si](OCCCC#C[C@H]1CCC(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H30O3Si/c1-25(2,3)29(22-14-8-4-9-15-22,23-16-10-5-11-17-23)27-20-12-6-7-13-21-18-19-24(26)28-21/h4-5,8-11,14-17,21H,6,12,18-20H2,1-3H3/t21-/m0/s1
InChIKeySINHYJINIUWXNI-NRFANRHFSA-N
MW406.60 g/mol
LogP4.05
Rot. Bonds6

About (5R)-5-[5-[tert-butyl(diphenyl)silyl]oxypent-1-ynyl]oxolan-2-one

(5R)-5-[5-[tert-butyl(diphenyl)silyl]oxypent-1-ynyl]oxolan-2-one (PubChem CID 56590729) has the molecular formula C25H30O3Si and a molecular weight of 406.60 g/mol. Its IUPAC name is (5R)-5-[5-[tert-butyl(diphenyl)silyl]oxypent-1-ynyl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[5-[tert-butyl(diphenyl)silyl]oxypent-1-ynyl]oxolan-2-one
PubChem CID56590729
Molecular FormulaC25H30O3Si
Molecular Weight406.60 g/mol
Exact Mass406.20
IUPAC Name(5R)-5-[5-[tert-butyl(diphenyl)silyl]oxypent-1-ynyl]oxolan-2-one
SMILESCC(C)(C)[Si](OCCCC#C[C@H]1CCC(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H30O3Si/c1-25(2,3)29(22-14-8-4-9-15-22,23-16-10-5-11-17-23)27-20-12-6-7-13-21-18-19-24(26)28-21/h4-5,8-11,14-17,21H,6,12,18-20H2,1-3H3/t21-/m0/s1
InChIKeySINHYJINIUWXNI-NRFANRHFSA-N
XLogP4.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.60
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[5-[tert-butyl(diphenyl)silyl]oxypent-1-ynyl]oxolan-2-one?
The IUPAC name of (5R)-5-[5-[tert-butyl(diphenyl)silyl]oxypent-1-ynyl]oxolan-2-one (CID 56590729) is (5R)-5-[5-[tert-butyl(diphenyl)silyl]oxypent-1-ynyl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[5-[tert-butyl(diphenyl)silyl]oxypent-1-ynyl]oxolan-2-one?
The canonical SMILES for (5R)-5-[5-[tert-butyl(diphenyl)silyl]oxypent-1-ynyl]oxolan-2-one is CC(C)(C)[Si](OCCCC#C[C@H]1CCC(=O)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (5R)-5-[5-[tert-butyl(diphenyl)silyl]oxypent-1-ynyl]oxolan-2-one?
The InChIKey is SINHYJINIUWXNI-NRFANRHFSA-N. The full InChI is InChI=1S/C25H30O3Si/c1-25(2,3)29(22-14-8-4-9-15-22,23-16-10-5-11-17-23)27-20-12-6-7-13-21-18-19-24(26)28-21/h4-5,8-11,14-17,21H,6,12,18-20H2,1-3H3/t21-/m0/s1.
What are the key properties of (5R)-5-[5-[tert-butyl(diphenyl)silyl]oxypent-1-ynyl]oxolan-2-one?
(5R)-5-[5-[tert-butyl(diphenyl)silyl]oxypent-1-ynyl]oxolan-2-one has a molecular weight of 406.60 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[5-[tert-butyl(diphenyl)silyl]oxypent-1-ynyl]oxolan-2-one is sourced from PubChem (CID 56590729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).