2-[2-tri(propan-2-yl)silyloxyethyl]oxolan-3-ol

C15H32O3Si — CID 21479745

IUPAC2-[2-tri(propan-2-yl)silyloxyethyl]oxolan-3-ol
SMILESCC(C)[Si](OCCC1OCCC1O)(C(C)C)C(C)C
InChIInChI=1S/C15H32O3Si/c1-11(2)19(12(3)4,13(5)6)18-10-8-15-14(16)7-9-17-15/h11-16H,7-10H2,1-6H3
InChIKeyNCBJVABFZIYEAM-UHFFFAOYSA-N
MW288.50 g/mol
LogP3.72
Rot. Bonds7

About 2-[2-tri(propan-2-yl)silyloxyethyl]oxolan-3-ol

2-[2-tri(propan-2-yl)silyloxyethyl]oxolan-3-ol (PubChem CID 21479745) has the molecular formula C15H32O3Si and a molecular weight of 288.50 g/mol. Its IUPAC name is 2-[2-tri(propan-2-yl)silyloxyethyl]oxolan-3-ol.

Molecular Properties

Compound Name2-[2-tri(propan-2-yl)silyloxyethyl]oxolan-3-ol
PubChem CID21479745
Molecular FormulaC15H32O3Si
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Name2-[2-tri(propan-2-yl)silyloxyethyl]oxolan-3-ol
SMILESCC(C)[Si](OCCC1OCCC1O)(C(C)C)C(C)C
InChIInChI=1S/C15H32O3Si/c1-11(2)19(12(3)4,13(5)6)18-10-8-15-14(16)7-9-17-15/h11-16H,7-10H2,1-6H3
InChIKeyNCBJVABFZIYEAM-UHFFFAOYSA-N
XLogP3.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-tri(propan-2-yl)silyloxyethyl]oxolan-3-ol?
The IUPAC name of 2-[2-tri(propan-2-yl)silyloxyethyl]oxolan-3-ol (CID 21479745) is 2-[2-tri(propan-2-yl)silyloxyethyl]oxolan-3-ol.
What is the SMILES notation for 2-[2-tri(propan-2-yl)silyloxyethyl]oxolan-3-ol?
The canonical SMILES for 2-[2-tri(propan-2-yl)silyloxyethyl]oxolan-3-ol is CC(C)[Si](OCCC1OCCC1O)(C(C)C)C(C)C.
What is the InChIKey of 2-[2-tri(propan-2-yl)silyloxyethyl]oxolan-3-ol?
The InChIKey is NCBJVABFZIYEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3Si/c1-11(2)19(12(3)4,13(5)6)18-10-8-15-14(16)7-9-17-15/h11-16H,7-10H2,1-6H3.
What are the key properties of 2-[2-tri(propan-2-yl)silyloxyethyl]oxolan-3-ol?
2-[2-tri(propan-2-yl)silyloxyethyl]oxolan-3-ol has a molecular weight of 288.50 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-tri(propan-2-yl)silyloxyethyl]oxolan-3-ol is sourced from PubChem (CID 21479745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).