1-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pentane-1,2-dione

C17H32O3Si — CID 45103351

IUPAC1-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pentane-1,2-dione
SMILESCCCC(=O)C(=O)C1(O[Si](C)(C)C(C)(C)C)CCCCC1
InChIInChI=1S/C17H32O3Si/c1-7-11-14(18)15(19)17(12-9-8-10-13-17)20-21(5,6)16(2,3)4/h7-13H2,1-6H3
InChIKeyVCRIGLDZWWDIPI-UHFFFAOYSA-N
MW312.53 g/mol
LogP4.65
Rot. Bonds6

About 1-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pentane-1,2-dione

1-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pentane-1,2-dione (PubChem CID 45103351) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is 1-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pentane-1,2-dione.

Molecular Properties

Compound Name1-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pentane-1,2-dione
PubChem CID45103351
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Name1-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pentane-1,2-dione
SMILESCCCC(=O)C(=O)C1(O[Si](C)(C)C(C)(C)C)CCCCC1
InChIInChI=1S/C17H32O3Si/c1-7-11-14(18)15(19)17(12-9-8-10-13-17)20-21(5,6)16(2,3)4/h7-13H2,1-6H3
InChIKeyVCRIGLDZWWDIPI-UHFFFAOYSA-N
XLogP4.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pentane-1,2-dione?
The IUPAC name of 1-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pentane-1,2-dione (CID 45103351) is 1-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pentane-1,2-dione.
What is the SMILES notation for 1-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pentane-1,2-dione?
The canonical SMILES for 1-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pentane-1,2-dione is CCCC(=O)C(=O)C1(O[Si](C)(C)C(C)(C)C)CCCCC1.
What is the InChIKey of 1-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pentane-1,2-dione?
The InChIKey is VCRIGLDZWWDIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-7-11-14(18)15(19)17(12-9-8-10-13-17)20-21(5,6)16(2,3)4/h7-13H2,1-6H3.
What are the key properties of 1-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pentane-1,2-dione?
1-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pentane-1,2-dione has a molecular weight of 312.53 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pentane-1,2-dione is sourced from PubChem (CID 45103351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).