1-[tert-butyl(dimethyl)silyl]-3-hydroxy-2-methylideneoctan-1-one

C15H30O2Si — CID 10730793

IUPAC1-[tert-butyl(dimethyl)silyl]-3-hydroxy-2-methylideneoctan-1-one
SMILESC=C(C(=O)[Si](C)(C)C(C)(C)C)C(O)CCCCC
InChIInChI=1S/C15H30O2Si/c1-8-9-10-11-13(16)12(2)14(17)18(6,7)15(3,4)5/h13,16H,2,8-11H2,1,3-7H3
InChIKeyMNDJETVUTFKXBE-UHFFFAOYSA-N
MW270.49 g/mol
LogP4.10
Rot. Bonds7

About 1-[tert-butyl(dimethyl)silyl]-3-hydroxy-2-methylideneoctan-1-one

1-[tert-butyl(dimethyl)silyl]-3-hydroxy-2-methylideneoctan-1-one (PubChem CID 10730793) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-3-hydroxy-2-methylideneoctan-1-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]-3-hydroxy-2-methylideneoctan-1-one
PubChem CID10730793
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name1-[tert-butyl(dimethyl)silyl]-3-hydroxy-2-methylideneoctan-1-one
SMILESC=C(C(=O)[Si](C)(C)C(C)(C)C)C(O)CCCCC
InChIInChI=1S/C15H30O2Si/c1-8-9-10-11-13(16)12(2)14(17)18(6,7)15(3,4)5/h13,16H,2,8-11H2,1,3-7H3
InChIKeyMNDJETVUTFKXBE-UHFFFAOYSA-N
XLogP4.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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]-3-hydroxy-2-methylideneoctan-1-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-3-hydroxy-2-methylideneoctan-1-one (CID 10730793) is 1-[tert-butyl(dimethyl)silyl]-3-hydroxy-2-methylideneoctan-1-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-3-hydroxy-2-methylideneoctan-1-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-3-hydroxy-2-methylideneoctan-1-one is C=C(C(=O)[Si](C)(C)C(C)(C)C)C(O)CCCCC.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-3-hydroxy-2-methylideneoctan-1-one?
The InChIKey is MNDJETVUTFKXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-8-9-10-11-13(16)12(2)14(17)18(6,7)15(3,4)5/h13,16H,2,8-11H2,1,3-7H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]-3-hydroxy-2-methylideneoctan-1-one?
1-[tert-butyl(dimethyl)silyl]-3-hydroxy-2-methylideneoctan-1-one has a molecular weight of 270.49 g/mol, XLogP of 4.10, 7 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]-3-hydroxy-2-methylideneoctan-1-one is sourced from PubChem (CID 10730793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).