5-ethenyl-2-methyl-8-tri(propan-2-yl)silyloxyoctan-4-one

C20H40O2Si — CID 155933850

IUPAC5-ethenyl-2-methyl-8-tri(propan-2-yl)silyloxyoctan-4-one
SMILESC=CC(CCCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)CC(C)C
InChIInChI=1S/C20H40O2Si/c1-10-19(20(21)14-15(2)3)12-11-13-22-23(16(4)5,17(6)7)18(8)9/h10,15-19H,1,11-14H2,2-9H3
InChIKeyDIAGPPJGIYBLCE-UHFFFAOYSA-N
MW340.62 g/mol
LogP6.38
Rot. Bonds12

About 5-ethenyl-2-methyl-8-tri(propan-2-yl)silyloxyoctan-4-one

5-ethenyl-2-methyl-8-tri(propan-2-yl)silyloxyoctan-4-one (PubChem CID 155933850) has the molecular formula C20H40O2Si and a molecular weight of 340.62 g/mol. Its IUPAC name is 5-ethenyl-2-methyl-8-tri(propan-2-yl)silyloxyoctan-4-one.

Molecular Properties

Compound Name5-ethenyl-2-methyl-8-tri(propan-2-yl)silyloxyoctan-4-one
PubChem CID155933850
Molecular FormulaC20H40O2Si
Molecular Weight340.62 g/mol
Exact Mass340.28
IUPAC Name5-ethenyl-2-methyl-8-tri(propan-2-yl)silyloxyoctan-4-one
SMILESC=CC(CCCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)CC(C)C
InChIInChI=1S/C20H40O2Si/c1-10-19(20(21)14-15(2)3)12-11-13-22-23(16(4)5,17(6)7)18(8)9/h10,15-19H,1,11-14H2,2-9H3
InChIKeyDIAGPPJGIYBLCE-UHFFFAOYSA-N
XLogP6.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.62
LogP ≤ 56.38
H-Bond Donors ≤ 50
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,6S)-2,6-dimethyl-1-tri(propan-2-yl)silyloxydec-9-en-5-one
CID 12164695
(3R,7R)-3-methyl-7-triethylsilyloxydec-1-en-5-one
CID 53328469
9-Tri(propan-2-yl)silyloxynon-1-en-5-one
CID 91062407
3-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl]pentane-2,4-dione
CID 176427563
10-[Tert-butyl(dimethyl)silyl]oxyundec-1-en-6-one
CID 11324012
(E)-11-[tert-butyl(dimethyl)silyl]oxy-9-methylundec-3-ene-2,8-dione
CID 59412218
1-[Tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-4-one
CID 59412255
4-[[Tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenylcyclohexan-1-one
CID 69212138
trans-(3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(E)-5-methylhex-1-enyl]cyclohexan-1-one
CID 71177682
(3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methylcyclohexan-1-one;pent-1-ene
CID 161755720
1-[Tert-butyl(dimethyl)silyl]oxytetradec-13-en-5-one
CID 168962230
cis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-one
CID 174136939

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-methyl-8-tri(propan-2-yl)silyloxyoctan-4-one?
The IUPAC name of 5-ethenyl-2-methyl-8-tri(propan-2-yl)silyloxyoctan-4-one (CID 155933850) is 5-ethenyl-2-methyl-8-tri(propan-2-yl)silyloxyoctan-4-one.
What is the SMILES notation for 5-ethenyl-2-methyl-8-tri(propan-2-yl)silyloxyoctan-4-one?
The canonical SMILES for 5-ethenyl-2-methyl-8-tri(propan-2-yl)silyloxyoctan-4-one is C=CC(CCCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)CC(C)C.
What is the InChIKey of 5-ethenyl-2-methyl-8-tri(propan-2-yl)silyloxyoctan-4-one?
The InChIKey is DIAGPPJGIYBLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O2Si/c1-10-19(20(21)14-15(2)3)12-11-13-22-23(16(4)5,17(6)7)18(8)9/h10,15-19H,1,11-14H2,2-9H3.
What are the key properties of 5-ethenyl-2-methyl-8-tri(propan-2-yl)silyloxyoctan-4-one?
5-ethenyl-2-methyl-8-tri(propan-2-yl)silyloxyoctan-4-one has a molecular weight of 340.62 g/mol, XLogP of 6.38, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-methyl-8-tri(propan-2-yl)silyloxyoctan-4-one is sourced from PubChem (CID 155933850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).