1-[tert-butyl(dimethyl)silyl]-2-(1-hydroxycyclohexyl)prop-2-en-1-one

C15H28O2Si — CID 10587998

IUPAC1-[tert-butyl(dimethyl)silyl]-2-(1-hydroxycyclohexyl)prop-2-en-1-one
SMILESC=C(C(=O)[Si](C)(C)C(C)(C)C)C1(O)CCCCC1
InChIInChI=1S/C15H28O2Si/c1-12(15(17)10-8-7-9-11-15)13(16)18(5,6)14(2,3)4/h17H,1,7-11H2,2-6H3
InChIKeyVUMXHQWXHSJTKL-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.85
Rot. Bonds3

About 1-[tert-butyl(dimethyl)silyl]-2-(1-hydroxycyclohexyl)prop-2-en-1-one

1-[tert-butyl(dimethyl)silyl]-2-(1-hydroxycyclohexyl)prop-2-en-1-one (PubChem CID 10587998) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-2-(1-hydroxycyclohexyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]-2-(1-hydroxycyclohexyl)prop-2-en-1-one
PubChem CID10587998
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name1-[tert-butyl(dimethyl)silyl]-2-(1-hydroxycyclohexyl)prop-2-en-1-one
SMILESC=C(C(=O)[Si](C)(C)C(C)(C)C)C1(O)CCCCC1
InChIInChI=1S/C15H28O2Si/c1-12(15(17)10-8-7-9-11-15)13(16)18(5,6)14(2,3)4/h17H,1,7-11H2,2-6H3
InChIKeyVUMXHQWXHSJTKL-UHFFFAOYSA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]-2-(1-hydroxycyclohexyl)prop-2-en-1-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-2-(1-hydroxycyclohexyl)prop-2-en-1-one (CID 10587998) is 1-[tert-butyl(dimethyl)silyl]-2-(1-hydroxycyclohexyl)prop-2-en-1-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-2-(1-hydroxycyclohexyl)prop-2-en-1-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-2-(1-hydroxycyclohexyl)prop-2-en-1-one is C=C(C(=O)[Si](C)(C)C(C)(C)C)C1(O)CCCCC1.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-2-(1-hydroxycyclohexyl)prop-2-en-1-one?
The InChIKey is VUMXHQWXHSJTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-12(15(17)10-8-7-9-11-15)13(16)18(5,6)14(2,3)4/h17H,1,7-11H2,2-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]-2-(1-hydroxycyclohexyl)prop-2-en-1-one?
1-[tert-butyl(dimethyl)silyl]-2-(1-hydroxycyclohexyl)prop-2-en-1-one has a molecular weight of 268.47 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]-2-(1-hydroxycyclohexyl)prop-2-en-1-one is sourced from PubChem (CID 10587998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).