6-[dimethoxy(propan-2-yloxy)silyl]-2-methylhex-1-en-3-one

C12H24O4Si — CID 58422050

IUPAC6-[dimethoxy(propan-2-yloxy)silyl]-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)CCC[Si](OC)(OC)OC(C)C
InChIInChI=1S/C12H24O4Si/c1-10(2)12(13)8-7-9-17(14-5,15-6)16-11(3)4/h11H,1,7-9H2,2-6H3
InChIKeyCAPNXRUGBOCPHV-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.57
Rot. Bonds9

About 6-[dimethoxy(propan-2-yloxy)silyl]-2-methylhex-1-en-3-one

6-[dimethoxy(propan-2-yloxy)silyl]-2-methylhex-1-en-3-one (PubChem CID 58422050) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 6-[dimethoxy(propan-2-yloxy)silyl]-2-methylhex-1-en-3-one.

Molecular Properties

Compound Name6-[dimethoxy(propan-2-yloxy)silyl]-2-methylhex-1-en-3-one
PubChem CID58422050
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name6-[dimethoxy(propan-2-yloxy)silyl]-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)CCC[Si](OC)(OC)OC(C)C
InChIInChI=1S/C12H24O4Si/c1-10(2)12(13)8-7-9-17(14-5,15-6)16-11(3)4/h11H,1,7-9H2,2-6H3
InChIKeyCAPNXRUGBOCPHV-UHFFFAOYSA-N
XLogP2.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 6-[dimethoxy(propan-2-yloxy)silyl]-2-methylhex-1-en-3-one?
The IUPAC name of 6-[dimethoxy(propan-2-yloxy)silyl]-2-methylhex-1-en-3-one (CID 58422050) is 6-[dimethoxy(propan-2-yloxy)silyl]-2-methylhex-1-en-3-one.
What is the SMILES notation for 6-[dimethoxy(propan-2-yloxy)silyl]-2-methylhex-1-en-3-one?
The canonical SMILES for 6-[dimethoxy(propan-2-yloxy)silyl]-2-methylhex-1-en-3-one is C=C(C)C(=O)CCC[Si](OC)(OC)OC(C)C.
What is the InChIKey of 6-[dimethoxy(propan-2-yloxy)silyl]-2-methylhex-1-en-3-one?
The InChIKey is CAPNXRUGBOCPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-10(2)12(13)8-7-9-17(14-5,15-6)16-11(3)4/h11H,1,7-9H2,2-6H3.
What are the key properties of 6-[dimethoxy(propan-2-yloxy)silyl]-2-methylhex-1-en-3-one?
6-[dimethoxy(propan-2-yloxy)silyl]-2-methylhex-1-en-3-one has a molecular weight of 260.41 g/mol, XLogP of 2.57, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[dimethoxy(propan-2-yloxy)silyl]-2-methylhex-1-en-3-one is sourced from PubChem (CID 58422050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).