6-methyl-3-tri(propan-2-yl)silyloxycyclohex-2-en-1-one

C16H30O2Si — CID 86046793

IUPAC6-methyl-3-tri(propan-2-yl)silyloxycyclohex-2-en-1-one
SMILESCC1CCC(O[Si](C(C)C)(C(C)C)C(C)C)=CC1=O
InChIInChI=1S/C16H30O2Si/c1-11(2)19(12(3)4,13(5)6)18-15-9-8-14(7)16(17)10-15/h10-14H,8-9H2,1-7H3
InChIKeySIYQTMIAHXKWST-UHFFFAOYSA-N
MW282.50 g/mol
LogP5.06
Rot. Bonds5

About 6-methyl-3-tri(propan-2-yl)silyloxycyclohex-2-en-1-one

6-methyl-3-tri(propan-2-yl)silyloxycyclohex-2-en-1-one (PubChem CID 86046793) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is 6-methyl-3-tri(propan-2-yl)silyloxycyclohex-2-en-1-one.

Molecular Properties

Compound Name6-methyl-3-tri(propan-2-yl)silyloxycyclohex-2-en-1-one
PubChem CID86046793
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name6-methyl-3-tri(propan-2-yl)silyloxycyclohex-2-en-1-one
SMILESCC1CCC(O[Si](C(C)C)(C(C)C)C(C)C)=CC1=O
InChIInChI=1S/C16H30O2Si/c1-11(2)19(12(3)4,13(5)6)18-15-9-8-14(7)16(17)10-15/h10-14H,8-9H2,1-7H3
InChIKeySIYQTMIAHXKWST-UHFFFAOYSA-N
XLogP5.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.50
LogP ≤ 55.06
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 6-methyl-3-tri(propan-2-yl)silyloxycyclohex-2-en-1-one?
The IUPAC name of 6-methyl-3-tri(propan-2-yl)silyloxycyclohex-2-en-1-one (CID 86046793) is 6-methyl-3-tri(propan-2-yl)silyloxycyclohex-2-en-1-one.
What is the SMILES notation for 6-methyl-3-tri(propan-2-yl)silyloxycyclohex-2-en-1-one?
The canonical SMILES for 6-methyl-3-tri(propan-2-yl)silyloxycyclohex-2-en-1-one is CC1CCC(O[Si](C(C)C)(C(C)C)C(C)C)=CC1=O.
What is the InChIKey of 6-methyl-3-tri(propan-2-yl)silyloxycyclohex-2-en-1-one?
The InChIKey is SIYQTMIAHXKWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-11(2)19(12(3)4,13(5)6)18-15-9-8-14(7)16(17)10-15/h10-14H,8-9H2,1-7H3.
What are the key properties of 6-methyl-3-tri(propan-2-yl)silyloxycyclohex-2-en-1-one?
6-methyl-3-tri(propan-2-yl)silyloxycyclohex-2-en-1-one has a molecular weight of 282.50 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-tri(propan-2-yl)silyloxycyclohex-2-en-1-one is sourced from PubChem (CID 86046793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).