5-[3-tri(propan-2-yl)silylprop-2-ynyl]oxolan-2-one

C16H28O2Si — CID 44632265

IUPAC5-[3-tri(propan-2-yl)silylprop-2-ynyl]oxolan-2-one
SMILESCC(C)[Si](C#CCC1CCC(=O)O1)(C(C)C)C(C)C
InChIInChI=1S/C16H28O2Si/c1-12(2)19(13(3)4,14(5)6)11-7-8-15-9-10-16(17)18-15/h12-15H,8-10H2,1-6H3
InChIKeyKZVJKFKAYWRXLL-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.30
Rot. Bonds4

About 5-[3-tri(propan-2-yl)silylprop-2-ynyl]oxolan-2-one

5-[3-tri(propan-2-yl)silylprop-2-ynyl]oxolan-2-one (PubChem CID 44632265) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is 5-[3-tri(propan-2-yl)silylprop-2-ynyl]oxolan-2-one.

Molecular Properties

Compound Name5-[3-tri(propan-2-yl)silylprop-2-ynyl]oxolan-2-one
PubChem CID44632265
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name5-[3-tri(propan-2-yl)silylprop-2-ynyl]oxolan-2-one
SMILESCC(C)[Si](C#CCC1CCC(=O)O1)(C(C)C)C(C)C
InChIInChI=1S/C16H28O2Si/c1-12(2)19(13(3)4,14(5)6)11-7-8-15-9-10-16(17)18-15/h12-15H,8-10H2,1-6H3
InChIKeyKZVJKFKAYWRXLL-UHFFFAOYSA-N
XLogP4.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 5-[3-tri(propan-2-yl)silylprop-2-ynyl]oxolan-2-one?
The IUPAC name of 5-[3-tri(propan-2-yl)silylprop-2-ynyl]oxolan-2-one (CID 44632265) is 5-[3-tri(propan-2-yl)silylprop-2-ynyl]oxolan-2-one.
What is the SMILES notation for 5-[3-tri(propan-2-yl)silylprop-2-ynyl]oxolan-2-one?
The canonical SMILES for 5-[3-tri(propan-2-yl)silylprop-2-ynyl]oxolan-2-one is CC(C)[Si](C#CCC1CCC(=O)O1)(C(C)C)C(C)C.
What is the InChIKey of 5-[3-tri(propan-2-yl)silylprop-2-ynyl]oxolan-2-one?
The InChIKey is KZVJKFKAYWRXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-12(2)19(13(3)4,14(5)6)11-7-8-15-9-10-16(17)18-15/h12-15H,8-10H2,1-6H3.
What are the key properties of 5-[3-tri(propan-2-yl)silylprop-2-ynyl]oxolan-2-one?
5-[3-tri(propan-2-yl)silylprop-2-ynyl]oxolan-2-one has a molecular weight of 280.48 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-tri(propan-2-yl)silylprop-2-ynyl]oxolan-2-one is sourced from PubChem (CID 44632265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).