(2R,3S,4R)-3-acetyl-2-hydroxy-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one

C18H34O4Si — CID 135005691

IUPAC(2R,3S,4R)-3-acetyl-2-hydroxy-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one
SMILESCC(=O)[C@H]1[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)CC(=O)[C@]1(C)O
InChIInChI=1S/C18H34O4Si/c1-11(2)23(12(3)4,13(5)6)22-10-15-9-16(20)18(8,21)17(15)14(7)19/h11-13,15,17,21H,9-10H2,1-8H3/t15-,17-,18-/m0/s1
InChIKeyLVIRWEBYTVGIAL-SZMVWBNQSA-N
MW342.55 g/mol
LogP3.72
Rot. Bonds7

About (2R,3S,4R)-3-acetyl-2-hydroxy-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one

(2R,3S,4R)-3-acetyl-2-hydroxy-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one (PubChem CID 135005691) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is (2R,3S,4R)-3-acetyl-2-hydroxy-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one.

Molecular Properties

Compound Name(2R,3S,4R)-3-acetyl-2-hydroxy-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one
PubChem CID135005691
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Name(2R,3S,4R)-3-acetyl-2-hydroxy-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one
SMILESCC(=O)[C@H]1[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)CC(=O)[C@]1(C)O
InChIInChI=1S/C18H34O4Si/c1-11(2)23(12(3)4,13(5)6)22-10-15-9-16(20)18(8,21)17(15)14(7)19/h11-13,15,17,21H,9-10H2,1-8H3/t15-,17-,18-/m0/s1
InChIKeyLVIRWEBYTVGIAL-SZMVWBNQSA-N
XLogP3.72
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4R)-3-acetyl-2-hydroxy-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one
CID 154714521
(3aR,5S,8S,9R,11R,12aR)-5,12a-dihydroxy-2,5,8,9,11-pentamethyl-1,2,3a,4,6,7,8,9,10,11-decahydrocyclopenta[11]annulene-3,12-dione;propane
CID 142484199
3-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3R)-3-hydroxy-3-methyl-2-propan-2-ylcyclopentyl]octan-1-one
CID 10971355
2-[(1R,2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(carboxymethyl)-3-oxocyclopentyl]acetic acid
CID 11566131
(3aR,5S,8S,9R,11R,12aR)-5,12a-dihydroxy-2,5,8,9,11-pentamethyl-1,2,3a,4,6,7,8,9,10,11-decahydrocyclopenta[11]annulene-3,12-dione
CID 142484200

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-3-acetyl-2-hydroxy-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one?
The IUPAC name of (2R,3S,4R)-3-acetyl-2-hydroxy-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one (CID 135005691) is (2R,3S,4R)-3-acetyl-2-hydroxy-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one.
What is the SMILES notation for (2R,3S,4R)-3-acetyl-2-hydroxy-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one?
The canonical SMILES for (2R,3S,4R)-3-acetyl-2-hydroxy-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one is CC(=O)[C@H]1[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)CC(=O)[C@]1(C)O.
What is the InChIKey of (2R,3S,4R)-3-acetyl-2-hydroxy-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one?
The InChIKey is LVIRWEBYTVGIAL-SZMVWBNQSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-11(2)23(12(3)4,13(5)6)22-10-15-9-16(20)18(8,21)17(15)14(7)19/h11-13,15,17,21H,9-10H2,1-8H3/t15-,17-,18-/m0/s1.
What are the key properties of (2R,3S,4R)-3-acetyl-2-hydroxy-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one?
(2R,3S,4R)-3-acetyl-2-hydroxy-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one has a molecular weight of 342.55 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-3-acetyl-2-hydroxy-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one is sourced from PubChem (CID 135005691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).