(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxy]-3-prop-2-enylcyclopent-2-en-1-one

C18H32O3Si — CID 11324800

IUPAC(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxy]-3-prop-2-enylcyclopent-2-en-1-one
SMILESC=CCC1=CC(=O)[C@H](OC(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O3Si/c1-10-11-13-12-14(19)16(20-17(2,3)4)15(13)21-22(8,9)18(5,6)7/h10,12,15-16H,1,11H2,2-9H3/t15-,16-/m0/s1
InChIKeyZGHRRFMXCMRTOS-HOTGVXAUSA-N
MW324.54 g/mol
LogP4.65
Rot. Bonds5

About (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxy]-3-prop-2-enylcyclopent-2-en-1-one

(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxy]-3-prop-2-enylcyclopent-2-en-1-one (PubChem CID 11324800) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxy]-3-prop-2-enylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxy]-3-prop-2-enylcyclopent-2-en-1-one
PubChem CID11324800
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Name(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxy]-3-prop-2-enylcyclopent-2-en-1-one
SMILESC=CCC1=CC(=O)[C@H](OC(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O3Si/c1-10-11-13-12-14(19)16(20-17(2,3)4)15(13)21-22(8,9)18(5,6)7/h10,12,15-16H,1,11H2,2-9H3/t15-,16-/m0/s1
InChIKeyZGHRRFMXCMRTOS-HOTGVXAUSA-N
XLogP4.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxy]-3-prop-2-enylcyclopent-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxy]-3-prop-2-enylcyclopent-2-en-1-one?
The IUPAC name of (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxy]-3-prop-2-enylcyclopent-2-en-1-one (CID 11324800) is (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxy]-3-prop-2-enylcyclopent-2-en-1-one.
What is the SMILES notation for (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxy]-3-prop-2-enylcyclopent-2-en-1-one?
The canonical SMILES for (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxy]-3-prop-2-enylcyclopent-2-en-1-one is C=CCC1=CC(=O)[C@H](OC(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxy]-3-prop-2-enylcyclopent-2-en-1-one?
The InChIKey is ZGHRRFMXCMRTOS-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H32O3Si/c1-10-11-13-12-14(19)16(20-17(2,3)4)15(13)21-22(8,9)18(5,6)7/h10,12,15-16H,1,11H2,2-9H3/t15-,16-/m0/s1.
What are the key properties of (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxy]-3-prop-2-enylcyclopent-2-en-1-one?
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxy]-3-prop-2-enylcyclopent-2-en-1-one has a molecular weight of 324.54 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxy]-3-prop-2-enylcyclopent-2-en-1-one is sourced from PubChem (CID 11324800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).