5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5-tetrahydro-2H-pentalen-1-one

C14H24O2Si — CID 12586043

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5-tetrahydro-2H-pentalen-1-one
SMILESCC(C)(C)[Si](C)(C)OC1C=C2C(=O)CCC2C1
InChIInChI=1S/C14H24O2Si/c1-14(2,3)17(4,5)16-11-8-10-6-7-13(15)12(10)9-11/h9-11H,6-8H2,1-5H3
InChIKeyGZQGBLKYISCVDX-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.69
Rot. Bonds2

About 5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5-tetrahydro-2H-pentalen-1-one

5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5-tetrahydro-2H-pentalen-1-one (PubChem CID 12586043) has the molecular formula C14H24O2Si and a molecular weight of 252.43 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5-tetrahydro-2H-pentalen-1-one.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5-tetrahydro-2H-pentalen-1-one
PubChem CID12586043
Molecular FormulaC14H24O2Si
Molecular Weight252.43 g/mol
Exact Mass252.15
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5-tetrahydro-2H-pentalen-1-one
SMILESCC(C)(C)[Si](C)(C)OC1C=C2C(=O)CCC2C1
InChIInChI=1S/C14H24O2Si/c1-14(2,3)17(4,5)16-11-8-10-6-7-13(15)12(10)9-11/h9-11H,6-8H2,1-5H3
InChIKeyGZQGBLKYISCVDX-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5-tetrahydro-2H-pentalen-1-one?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5-tetrahydro-2H-pentalen-1-one (CID 12586043) is 5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5-tetrahydro-2H-pentalen-1-one.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5-tetrahydro-2H-pentalen-1-one?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5-tetrahydro-2H-pentalen-1-one is CC(C)(C)[Si](C)(C)OC1C=C2C(=O)CCC2C1.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5-tetrahydro-2H-pentalen-1-one?
The InChIKey is GZQGBLKYISCVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2Si/c1-14(2,3)17(4,5)16-11-8-10-6-7-13(15)12(10)9-11/h9-11H,6-8H2,1-5H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5-tetrahydro-2H-pentalen-1-one?
5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5-tetrahydro-2H-pentalen-1-one has a molecular weight of 252.43 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5-tetrahydro-2H-pentalen-1-one is sourced from PubChem (CID 12586043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).