4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclohex-2-en-1-one

C14H26O2Si — CID 10999625

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclohex-2-en-1-one
SMILESCC1=CC(=O)CCC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-11-9-13(15)8-7-12(11)10-16-17(5,6)14(2,3)4/h9,12H,7-8,10H2,1-6H3
InChIKeyGFUQDDQFWHSTKC-UHFFFAOYSA-N
MW254.45 g/mol
LogP3.93
Rot. Bonds3

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclohex-2-en-1-one

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclohex-2-en-1-one (PubChem CID 10999625) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclohex-2-en-1-one
PubChem CID10999625
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclohex-2-en-1-one
SMILESCC1=CC(=O)CCC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-11-9-13(15)8-7-12(11)10-16-17(5,6)14(2,3)4/h9,12H,7-8,10H2,1-6H3
InChIKeyGFUQDDQFWHSTKC-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.93
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 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclohex-2-en-1-one?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclohex-2-en-1-one (CID 10999625) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclohex-2-en-1-one.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclohex-2-en-1-one?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclohex-2-en-1-one is CC1=CC(=O)CCC1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclohex-2-en-1-one?
The InChIKey is GFUQDDQFWHSTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-11-9-13(15)8-7-12(11)10-16-17(5,6)14(2,3)4/h9,12H,7-8,10H2,1-6H3.
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclohex-2-en-1-one?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclohex-2-en-1-one has a molecular weight of 254.45 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclohex-2-en-1-one is sourced from PubChem (CID 10999625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).