(4R)-4-hydroxy-4-methyl-6-tri(propan-2-yl)silyloxyhept-6-en-2-one

C17H34O3Si — CID 101442543

IUPAC(4R)-4-hydroxy-4-methyl-6-tri(propan-2-yl)silyloxyhept-6-en-2-one
SMILESC=C(C[C@@](C)(O)CC(C)=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34O3Si/c1-12(2)21(13(3)4,14(5)6)20-16(8)11-17(9,19)10-15(7)18/h12-14,19H,8,10-11H2,1-7,9H3/t17-/m0/s1
InChIKeyNNBPNRDZAWJOHH-KRWDZBQOSA-N
MW314.54 g/mol
LogP4.81
Rot. Bonds9

About (4R)-4-hydroxy-4-methyl-6-tri(propan-2-yl)silyloxyhept-6-en-2-one

(4R)-4-hydroxy-4-methyl-6-tri(propan-2-yl)silyloxyhept-6-en-2-one (PubChem CID 101442543) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is (4R)-4-hydroxy-4-methyl-6-tri(propan-2-yl)silyloxyhept-6-en-2-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-4-methyl-6-tri(propan-2-yl)silyloxyhept-6-en-2-one
PubChem CID101442543
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name(4R)-4-hydroxy-4-methyl-6-tri(propan-2-yl)silyloxyhept-6-en-2-one
SMILESC=C(C[C@@](C)(O)CC(C)=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34O3Si/c1-12(2)21(13(3)4,14(5)6)20-16(8)11-17(9,19)10-15(7)18/h12-14,19H,8,10-11H2,1-7,9H3/t17-/m0/s1
InChIKeyNNBPNRDZAWJOHH-KRWDZBQOSA-N
XLogP4.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.81
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'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-4-methyl-6-tri(propan-2-yl)silyloxyhept-6-en-2-one?
The IUPAC name of (4R)-4-hydroxy-4-methyl-6-tri(propan-2-yl)silyloxyhept-6-en-2-one (CID 101442543) is (4R)-4-hydroxy-4-methyl-6-tri(propan-2-yl)silyloxyhept-6-en-2-one.
What is the SMILES notation for (4R)-4-hydroxy-4-methyl-6-tri(propan-2-yl)silyloxyhept-6-en-2-one?
The canonical SMILES for (4R)-4-hydroxy-4-methyl-6-tri(propan-2-yl)silyloxyhept-6-en-2-one is C=C(C[C@@](C)(O)CC(C)=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (4R)-4-hydroxy-4-methyl-6-tri(propan-2-yl)silyloxyhept-6-en-2-one?
The InChIKey is NNBPNRDZAWJOHH-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-12(2)21(13(3)4,14(5)6)20-16(8)11-17(9,19)10-15(7)18/h12-14,19H,8,10-11H2,1-7,9H3/t17-/m0/s1.
What are the key properties of (4R)-4-hydroxy-4-methyl-6-tri(propan-2-yl)silyloxyhept-6-en-2-one?
(4R)-4-hydroxy-4-methyl-6-tri(propan-2-yl)silyloxyhept-6-en-2-one has a molecular weight of 314.54 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-4-methyl-6-tri(propan-2-yl)silyloxyhept-6-en-2-one is sourced from PubChem (CID 101442543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).