3-[3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one

C22H40O2Si — CID 54316896

IUPAC3-[3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)OC(C=CC1CCCC(=O)C1)CCC1CCCC1
InChIInChI=1S/C22H40O2Si/c1-22(2,3)25(4,5)24-21(15-13-18-9-6-7-10-18)16-14-19-11-8-12-20(23)17-19/h14,16,18-19,21H,6-13,15,17H2,1-5H3
InChIKeySOVWYTICDLIJQG-UHFFFAOYSA-N
MW364.65 g/mol
LogP6.66
Rot. Bonds7

About 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one

3-[3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one (PubChem CID 54316896) has the molecular formula C22H40O2Si and a molecular weight of 364.65 g/mol. Its IUPAC name is 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one.

Molecular Properties

Compound Name3-[3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one
PubChem CID54316896
Molecular FormulaC22H40O2Si
Molecular Weight364.65 g/mol
Exact Mass364.28
IUPAC Name3-[3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)OC(C=CC1CCCC(=O)C1)CCC1CCCC1
InChIInChI=1S/C22H40O2Si/c1-22(2,3)25(4,5)24-21(15-13-18-9-6-7-10-18)16-14-19-11-8-12-20(23)17-19/h14,16,18-19,21H,6-13,15,17H2,1-5H3
InChIKeySOVWYTICDLIJQG-UHFFFAOYSA-N
XLogP6.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.65
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one?
The IUPAC name of 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one (CID 54316896) is 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one.
What is the SMILES notation for 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one?
The canonical SMILES for 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one is CC(C)(C)[Si](C)(C)OC(C=CC1CCCC(=O)C1)CCC1CCCC1.
What is the InChIKey of 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one?
The InChIKey is SOVWYTICDLIJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O2Si/c1-22(2,3)25(4,5)24-21(15-13-18-9-6-7-10-18)16-14-19-11-8-12-20(23)17-19/h14,16,18-19,21H,6-13,15,17H2,1-5H3.
What are the key properties of 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one?
3-[3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one has a molecular weight of 364.65 g/mol, XLogP of 6.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one is sourced from PubChem (CID 54316896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).