6-methyl-3-methylidene-1-tri(propan-2-yl)silyloxyheptan-4-one

C18H36O2Si — CID 101029083

IUPAC6-methyl-3-methylidene-1-tri(propan-2-yl)silyloxyheptan-4-one
SMILESC=C(CCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)CC(C)C
InChIInChI=1S/C18H36O2Si/c1-13(2)12-18(19)17(9)10-11-20-21(14(3)4,15(5)6)16(7)8/h13-16H,9-12H2,1-8H3
InChIKeyGPEYYHWCAQYJKW-UHFFFAOYSA-N
MW312.57 g/mol
LogP5.74
Rot. Bonds10

About 6-methyl-3-methylidene-1-tri(propan-2-yl)silyloxyheptan-4-one

6-methyl-3-methylidene-1-tri(propan-2-yl)silyloxyheptan-4-one (PubChem CID 101029083) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is 6-methyl-3-methylidene-1-tri(propan-2-yl)silyloxyheptan-4-one.

Molecular Properties

Compound Name6-methyl-3-methylidene-1-tri(propan-2-yl)silyloxyheptan-4-one
PubChem CID101029083
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name6-methyl-3-methylidene-1-tri(propan-2-yl)silyloxyheptan-4-one
SMILESC=C(CCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)CC(C)C
InChIInChI=1S/C18H36O2Si/c1-13(2)12-18(19)17(9)10-11-20-21(14(3)4,15(5)6)16(7)8/h13-16H,9-12H2,1-8H3
InChIKeyGPEYYHWCAQYJKW-UHFFFAOYSA-N
XLogP5.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.74
H-Bond Donors ≤ 50
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 6-methyl-3-methylidene-1-tri(propan-2-yl)silyloxyheptan-4-one?
The IUPAC name of 6-methyl-3-methylidene-1-tri(propan-2-yl)silyloxyheptan-4-one (CID 101029083) is 6-methyl-3-methylidene-1-tri(propan-2-yl)silyloxyheptan-4-one.
What is the SMILES notation for 6-methyl-3-methylidene-1-tri(propan-2-yl)silyloxyheptan-4-one?
The canonical SMILES for 6-methyl-3-methylidene-1-tri(propan-2-yl)silyloxyheptan-4-one is C=C(CCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)CC(C)C.
What is the InChIKey of 6-methyl-3-methylidene-1-tri(propan-2-yl)silyloxyheptan-4-one?
The InChIKey is GPEYYHWCAQYJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-13(2)12-18(19)17(9)10-11-20-21(14(3)4,15(5)6)16(7)8/h13-16H,9-12H2,1-8H3.
What are the key properties of 6-methyl-3-methylidene-1-tri(propan-2-yl)silyloxyheptan-4-one?
6-methyl-3-methylidene-1-tri(propan-2-yl)silyloxyheptan-4-one has a molecular weight of 312.57 g/mol, XLogP of 5.74, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-methylidene-1-tri(propan-2-yl)silyloxyheptan-4-one is sourced from PubChem (CID 101029083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).