(Z)-5-hydroxy-2,6,6-trimethyl-2-trimethylsilyloxyhept-4-en-3-one

C13H26O3Si — CID 23594323

IUPAC(Z)-5-hydroxy-2,6,6-trimethyl-2-trimethylsilyloxyhept-4-en-3-one
SMILESCC(C)(O[Si](C)(C)C)C(=O)/C=C(\O)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-12(2,3)10(14)9-11(15)13(4,5)16-17(6,7)8/h9,14H,1-8H3/b10-9-
InChIKeyAZJKYSPAJQBAPD-KTKRTIGZSA-N
MW258.43 g/mol
LogP3.67
Rot. Bonds4

About (Z)-5-hydroxy-2,6,6-trimethyl-2-trimethylsilyloxyhept-4-en-3-one

(Z)-5-hydroxy-2,6,6-trimethyl-2-trimethylsilyloxyhept-4-en-3-one (PubChem CID 23594323) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is (Z)-5-hydroxy-2,6,6-trimethyl-2-trimethylsilyloxyhept-4-en-3-one.

Molecular Properties

Compound Name(Z)-5-hydroxy-2,6,6-trimethyl-2-trimethylsilyloxyhept-4-en-3-one
PubChem CID23594323
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name(Z)-5-hydroxy-2,6,6-trimethyl-2-trimethylsilyloxyhept-4-en-3-one
SMILESCC(C)(O[Si](C)(C)C)C(=O)/C=C(\O)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-12(2,3)10(14)9-11(15)13(4,5)16-17(6,7)8/h9,14H,1-8H3/b10-9-
InChIKeyAZJKYSPAJQBAPD-KTKRTIGZSA-N
XLogP3.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze (Z)-5-hydroxy-2,6,6-trimethyl-2-trimethylsilyloxyhept-4-en-3-one with MolForge

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Related Compounds

chromium;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
CID 5148179
tris((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);terbium
CID 71311421
copper;bis((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
CID 53393500
bis(cobalt(3+));tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
CID 170922988
CID 6849360
CID 6849360
dioxomolybdenum;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
CID 102601110
methyl (Z)-3-hydroxy-4,4-dimethylpent-2-enoate
CID 54675983
2,2,6-trimethyl-6-trimethylsilyloxyheptane-3,5-dione
CID 22253512
2,6-dimethyl-2,6-bis(trimethylsilyloxy)heptane-3,5-dione
CID 22253510
cerium;(Z)-6,6,6-trifluoro-5-hydroxy-2,2-dimethylhex-4-en-3-one
CID 156648922
N-(2,2-dimethylpropanoyl)-2,2-dimethylpropanimidic acid;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);manganese
CID 162748847
bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);2-methylpentane-2,4-diol;titanium
CID 158968967

Frequently Asked Questions

What is the IUPAC name of (Z)-5-hydroxy-2,6,6-trimethyl-2-trimethylsilyloxyhept-4-en-3-one?
The IUPAC name of (Z)-5-hydroxy-2,6,6-trimethyl-2-trimethylsilyloxyhept-4-en-3-one (CID 23594323) is (Z)-5-hydroxy-2,6,6-trimethyl-2-trimethylsilyloxyhept-4-en-3-one.
What is the SMILES notation for (Z)-5-hydroxy-2,6,6-trimethyl-2-trimethylsilyloxyhept-4-en-3-one?
The canonical SMILES for (Z)-5-hydroxy-2,6,6-trimethyl-2-trimethylsilyloxyhept-4-en-3-one is CC(C)(O[Si](C)(C)C)C(=O)/C=C(\O)C(C)(C)C.
What is the InChIKey of (Z)-5-hydroxy-2,6,6-trimethyl-2-trimethylsilyloxyhept-4-en-3-one?
The InChIKey is AZJKYSPAJQBAPD-KTKRTIGZSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-12(2,3)10(14)9-11(15)13(4,5)16-17(6,7)8/h9,14H,1-8H3/b10-9-.
What are the key properties of (Z)-5-hydroxy-2,6,6-trimethyl-2-trimethylsilyloxyhept-4-en-3-one?
(Z)-5-hydroxy-2,6,6-trimethyl-2-trimethylsilyloxyhept-4-en-3-one has a molecular weight of 258.43 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-hydroxy-2,6,6-trimethyl-2-trimethylsilyloxyhept-4-en-3-one is sourced from PubChem (CID 23594323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).