methyl 2-[(1R,2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylcyclopentyl]acetate

C27H36O3Si — CID 134900951

IUPACmethyl 2-[(1R,2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylcyclopentyl]acetate
SMILESC=CC[C@H]1[C@@H](CC(=O)OC)CC[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H36O3Si/c1-6-13-24-21(20-26(28)29-5)18-19-25(24)30-31(27(2,3)4,22-14-9-7-10-15-22)23-16-11-8-12-17-23/h6-12,14-17,21,24-25H,1,13,18-20H2,2-5H3/t21-,24+,25+/m1/s1
InChIKeyHHMOBIZGNBJVRS-ZODMCCGTSA-N
MW436.67 g/mol
LogP5.10
Rot. Bonds8

About methyl 2-[(1R,2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylcyclopentyl]acetate

methyl 2-[(1R,2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylcyclopentyl]acetate (PubChem CID 134900951) has the molecular formula C27H36O3Si and a molecular weight of 436.67 g/mol. Its IUPAC name is methyl 2-[(1R,2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylcyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1R,2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylcyclopentyl]acetate
PubChem CID134900951
Molecular FormulaC27H36O3Si
Molecular Weight436.67 g/mol
Exact Mass436.24
IUPAC Namemethyl 2-[(1R,2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylcyclopentyl]acetate
SMILESC=CC[C@H]1[C@@H](CC(=O)OC)CC[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H36O3Si/c1-6-13-24-21(20-26(28)29-5)18-19-25(24)30-31(27(2,3)4,22-14-9-7-10-15-22)23-16-11-8-12-17-23/h6-12,14-17,21,24-25H,1,13,18-20H2,2-5H3/t21-,24+,25+/m1/s1
InChIKeyHHMOBIZGNBJVRS-ZODMCCGTSA-N
XLogP5.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.67
LogP ≤ 55.10
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 methyl 2-[(1R,2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylcyclopentyl]acetate with MolForge

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

Launch Full Analysis

Related Compounds

(1R,3aS,4R,5R,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-1,4-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 90681892
(1R,3aS,4R,5R,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-1-prop-2-enyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 90681893
(1S,3aR,5R,6R,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-1,6-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 90681895
(1S,3aR,5R,6R,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-6-methyl-1-prop-2-enyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 90681896
(1S,3aR,5R,6R,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-6-methyl-1-(3-methylbut-2-enyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 90681897
(1R,3aS,4R,5R,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-1-methyl-4-prop-2-enyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 71606654
(3aR,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 10523724
(1S,3aR,5R,6R,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-1-methyl-6-prop-2-enyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 71606656
(1R,3aS,4R,5R,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-1-(3-methylbut-2-enyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 90681894
(3aR,4R,5R,6aR)-5-[tert-butyl(diphenyl)silyl]oxy-3a,4,6a-trimethyl-3,4,5,6-tetrahydro-1H-pentalen-2-one
CID 90682006
(3aR,4S,5R,6aR)-5-[tert-butyl(diphenyl)silyl]oxy-3a,4,6a-trimethyl-3,4,5,6-tetrahydro-1H-pentalen-2-one
CID 90682007
(1R,3S,3aS,4R,5R,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-1,3-dimethyl-4-prop-2-enyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 90682018

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R,2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylcyclopentyl]acetate?
The IUPAC name of methyl 2-[(1R,2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylcyclopentyl]acetate (CID 134900951) is methyl 2-[(1R,2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylcyclopentyl]acetate.
What is the SMILES notation for methyl 2-[(1R,2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylcyclopentyl]acetate?
The canonical SMILES for methyl 2-[(1R,2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylcyclopentyl]acetate is C=CC[C@H]1[C@@H](CC(=O)OC)CC[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl 2-[(1R,2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylcyclopentyl]acetate?
The InChIKey is HHMOBIZGNBJVRS-ZODMCCGTSA-N. The full InChI is InChI=1S/C27H36O3Si/c1-6-13-24-21(20-26(28)29-5)18-19-25(24)30-31(27(2,3)4,22-14-9-7-10-15-22)23-16-11-8-12-17-23/h6-12,14-17,21,24-25H,1,13,18-20H2,2-5H3/t21-,24+,25+/m1/s1.
What are the key properties of methyl 2-[(1R,2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylcyclopentyl]acetate?
methyl 2-[(1R,2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylcyclopentyl]acetate has a molecular weight of 436.67 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R,2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylcyclopentyl]acetate is sourced from PubChem (CID 134900951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).