methyl (1R,2S,3S)-3-[(2R)-1-methoxy-1-oxopropan-2-yl]-2-(3-methylbut-3-enyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopentane-1-carboxylate

C22H38O5Si — CID 53306669

IUPACmethyl (1R,2S,3S)-3-[(2R)-1-methoxy-1-oxopropan-2-yl]-2-(3-methylbut-3-enyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopentane-1-carboxylate
SMILESC=CC[C@]1(C(=O)OC)CC[C@@H]([C@@H](C)C(=O)OC)[C@]1(CCC(=C)C)O[Si](C)(C)C
InChIInChI=1S/C22H38O5Si/c1-10-13-21(20(24)26-6)14-12-18(17(4)19(23)25-5)22(21,15-11-16(2)3)27-28(7,8)9/h10,17-18H,1-2,11-15H2,3-9H3/t17-,18+,21-,22+/m1/s1
InChIKeyYSIKZFSEPDCKTQ-OSZJIOELSA-N
MW410.63 g/mol
LogP4.89
Rot. Bonds10

About methyl (1R,2S,3S)-3-[(2R)-1-methoxy-1-oxopropan-2-yl]-2-(3-methylbut-3-enyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopentane-1-carboxylate

methyl (1R,2S,3S)-3-[(2R)-1-methoxy-1-oxopropan-2-yl]-2-(3-methylbut-3-enyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopentane-1-carboxylate (PubChem CID 53306669) has the molecular formula C22H38O5Si and a molecular weight of 410.63 g/mol. Its IUPAC name is methyl (1R,2S,3S)-3-[(2R)-1-methoxy-1-oxopropan-2-yl]-2-(3-methylbut-3-enyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2S,3S)-3-[(2R)-1-methoxy-1-oxopropan-2-yl]-2-(3-methylbut-3-enyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopentane-1-carboxylate
PubChem CID53306669
Molecular FormulaC22H38O5Si
Molecular Weight410.63 g/mol
Exact Mass410.25
IUPAC Namemethyl (1R,2S,3S)-3-[(2R)-1-methoxy-1-oxopropan-2-yl]-2-(3-methylbut-3-enyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopentane-1-carboxylate
SMILESC=CC[C@]1(C(=O)OC)CC[C@@H]([C@@H](C)C(=O)OC)[C@]1(CCC(=C)C)O[Si](C)(C)C
InChIInChI=1S/C22H38O5Si/c1-10-13-21(20(24)26-6)14-12-18(17(4)19(23)25-5)22(21,15-11-16(2)3)27-28(7,8)9/h10,17-18H,1-2,11-15H2,3-9H3/t17-,18+,21-,22+/m1/s1
InChIKeyYSIKZFSEPDCKTQ-OSZJIOELSA-N
XLogP4.89
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.63
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (1R,2S,3S)-3-[(2R)-1-methoxy-1-oxopropan-2-yl]-2-(3-methylbut-3-enyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopentane-1-carboxylate 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

methyl (1R,2S,5R)-5-methyl-1-(3-methylbut-3-enyl)-2-prop-2-enoyl-2-trimethylsilyloxycyclopentane-1-carboxylate
CID 134960855
methyl 2-(2,3,4,5,6-pentafluorophenyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopropane-1-carboxylate
CID 102102676
methyl 5,5,8a-trimethyl-1-prop-2-enyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1-carboxylate
CID 70446743
cis-methyl (1S,2R)-1-[(2Z,4E)-hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]-2-trimethylsilyloxycyclopropane-1-carboxylate
CID 10638571
methyl 1-prop-2-enylcyclohexane-1-carboxylate
CID 10932067
methyl 7-prop-2-enylbicyclo[2.2.1]heptane-7-carboxylate
CID 45098783
methyl 2-cyclopropyl-2-(3-methylbut-3-enoxy)acetate
CID 114469930
methyl (2S)-2-(3-methylbut-3-enoxy)propanoate
CID 103338255
methyl 2-[(2S,6S)-6-(hydroxymethyl)oxan-2-yl]propanoate
CID 67669823
methyl (1S,3aR,4S,5S,6aR)-1-but-3-enyl-5-ethenyl-4-ethyl-6a-hydroxy-2,3,3a,4,5,6-hexahydropentalene-1-carboxylate
CID 134963128
methyl 2-(2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate
CID 101202530
trans-methyl (1S,2R)-1-amino-2-propan-2-ylcyclobutane-1-carboxylate
CID 129418531

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2S,3S)-3-[(2R)-1-methoxy-1-oxopropan-2-yl]-2-(3-methylbut-3-enyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopentane-1-carboxylate?
The IUPAC name of methyl (1R,2S,3S)-3-[(2R)-1-methoxy-1-oxopropan-2-yl]-2-(3-methylbut-3-enyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopentane-1-carboxylate (CID 53306669) is methyl (1R,2S,3S)-3-[(2R)-1-methoxy-1-oxopropan-2-yl]-2-(3-methylbut-3-enyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1R,2S,3S)-3-[(2R)-1-methoxy-1-oxopropan-2-yl]-2-(3-methylbut-3-enyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopentane-1-carboxylate?
The canonical SMILES for methyl (1R,2S,3S)-3-[(2R)-1-methoxy-1-oxopropan-2-yl]-2-(3-methylbut-3-enyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopentane-1-carboxylate is C=CC[C@]1(C(=O)OC)CC[C@@H]([C@@H](C)C(=O)OC)[C@]1(CCC(=C)C)O[Si](C)(C)C.
What is the InChIKey of methyl (1R,2S,3S)-3-[(2R)-1-methoxy-1-oxopropan-2-yl]-2-(3-methylbut-3-enyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopentane-1-carboxylate?
The InChIKey is YSIKZFSEPDCKTQ-OSZJIOELSA-N. The full InChI is InChI=1S/C22H38O5Si/c1-10-13-21(20(24)26-6)14-12-18(17(4)19(23)25-5)22(21,15-11-16(2)3)27-28(7,8)9/h10,17-18H,1-2,11-15H2,3-9H3/t17-,18+,21-,22+/m1/s1.
What are the key properties of methyl (1R,2S,3S)-3-[(2R)-1-methoxy-1-oxopropan-2-yl]-2-(3-methylbut-3-enyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopentane-1-carboxylate?
methyl (1R,2S,3S)-3-[(2R)-1-methoxy-1-oxopropan-2-yl]-2-(3-methylbut-3-enyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopentane-1-carboxylate has a molecular weight of 410.63 g/mol, XLogP of 4.89, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2S,3S)-3-[(2R)-1-methoxy-1-oxopropan-2-yl]-2-(3-methylbut-3-enyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopentane-1-carboxylate is sourced from PubChem (CID 53306669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).