(Z)-4-ethyl-3-hydroxy-4-methyl-1-triethylsilylhex-2-en-1-one

C15H30O2Si — CID 166035028

IUPAC(Z)-4-ethyl-3-hydroxy-4-methyl-1-triethylsilylhex-2-en-1-one
SMILESCCC(C)(CC)/C(O)=C/C(=O)[Si](CC)(CC)CC
InChIInChI=1S/C15H30O2Si/c1-7-15(6,8-2)13(16)12-14(17)18(9-3,10-4)11-5/h12,16H,7-11H2,1-6H3/b13-12-
InChIKeyZWXXLRZXUYFMSW-SEYXRHQNSA-N
MW270.49 g/mol
LogP4.87
Rot. Bonds8

About (Z)-4-ethyl-3-hydroxy-4-methyl-1-triethylsilylhex-2-en-1-one

(Z)-4-ethyl-3-hydroxy-4-methyl-1-triethylsilylhex-2-en-1-one (PubChem CID 166035028) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is (Z)-4-ethyl-3-hydroxy-4-methyl-1-triethylsilylhex-2-en-1-one.

Molecular Properties

Compound Name(Z)-4-ethyl-3-hydroxy-4-methyl-1-triethylsilylhex-2-en-1-one
PubChem CID166035028
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name(Z)-4-ethyl-3-hydroxy-4-methyl-1-triethylsilylhex-2-en-1-one
SMILESCCC(C)(CC)/C(O)=C/C(=O)[Si](CC)(CC)CC
InChIInChI=1S/C15H30O2Si/c1-7-15(6,8-2)13(16)12-14(17)18(9-3,10-4)11-5/h12,16H,7-11H2,1-6H3/b13-12-
InChIKeyZWXXLRZXUYFMSW-SEYXRHQNSA-N
XLogP4.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-5-ethyl-1,1-difluoro-4-hydroxy-5-methylhept-3-en-2-one
CID 176751566
1-triethylsilylprop-2-en-1-one
CID 15723080
2-ethyl-2-methylhex-4-enoic acid
CID 123449987
(Z)-3,3,7,7-tetraethyl-6-hydroxynon-5-en-4-one
CID 148796201
2-methyl-2-(trimethylsilylmethyl)butanoic acid
CID 106322957
(Z)-9,9,9-trifluoro-6-hydroxy-3,3,7-trimethyl-7-(2,2,2-trifluoroethyl)non-5-en-4-one
CID 147286139
(2S)-2-(hydroxymethyl)-2-methylbutanoic acid
CID 124539750
2-(iodomethyl)-2-methylbutanoic acid
CID 155784783
4-ethyl-4-methyl-3-oxohexanoic acid
CID 10511393
(2S)-2-amino-2-methylbutanoic acid
CID 6971276
3-methyl-3-(trimethylsilylmethyl)pentan-2-one
CID 58820876
2-[(dihydroxyamino)methyl]-2-methylbutanoic acid
CID 133065164

Frequently Asked Questions

What is the IUPAC name of (Z)-4-ethyl-3-hydroxy-4-methyl-1-triethylsilylhex-2-en-1-one?
The IUPAC name of (Z)-4-ethyl-3-hydroxy-4-methyl-1-triethylsilylhex-2-en-1-one (CID 166035028) is (Z)-4-ethyl-3-hydroxy-4-methyl-1-triethylsilylhex-2-en-1-one.
What is the SMILES notation for (Z)-4-ethyl-3-hydroxy-4-methyl-1-triethylsilylhex-2-en-1-one?
The canonical SMILES for (Z)-4-ethyl-3-hydroxy-4-methyl-1-triethylsilylhex-2-en-1-one is CCC(C)(CC)/C(O)=C/C(=O)[Si](CC)(CC)CC.
What is the InChIKey of (Z)-4-ethyl-3-hydroxy-4-methyl-1-triethylsilylhex-2-en-1-one?
The InChIKey is ZWXXLRZXUYFMSW-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-7-15(6,8-2)13(16)12-14(17)18(9-3,10-4)11-5/h12,16H,7-11H2,1-6H3/b13-12-.
What are the key properties of (Z)-4-ethyl-3-hydroxy-4-methyl-1-triethylsilylhex-2-en-1-one?
(Z)-4-ethyl-3-hydroxy-4-methyl-1-triethylsilylhex-2-en-1-one has a molecular weight of 270.49 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethyl-3-hydroxy-4-methyl-1-triethylsilylhex-2-en-1-one is sourced from PubChem (CID 166035028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).