methyl (5S)-5-[[(1R,2R,5R)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclopentyl]methyl]-5-(methoxymethoxymethyl)-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate

C29H52O5Si — CID 11762935

IUPACmethyl (5S)-5-[[(1R,2R,5R)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclopentyl]methyl]-5-(methoxymethoxymethyl)-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate
SMILESCOCOC[C@@]1(C[C@H]2[C@H]([C@@H](C)CO[Si](C)(C)C(C)(C)C)CC[C@H]2C)C=CC(C(C)C)=C1C(=O)OC
InChIInChI=1S/C29H52O5Si/c1-20(2)23-14-15-29(18-33-19-31-8,26(23)27(30)32-9)16-25-21(3)12-13-24(25)22(4)17-34-35(10,11)28(5,6)7/h14-15,20-22,24-25H,12-13,16-19H2,1-11H3/t21-,22+,24+,25-,29+/m1/s1
InChIKeyXDOLGJMRBKOICL-HGNGNOMLSA-N
MW508.82 g/mol
LogP7.00
Rot. Bonds12

About methyl (5S)-5-[[(1R,2R,5R)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclopentyl]methyl]-5-(methoxymethoxymethyl)-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate

methyl (5S)-5-[[(1R,2R,5R)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclopentyl]methyl]-5-(methoxymethoxymethyl)-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate (PubChem CID 11762935) has the molecular formula C29H52O5Si and a molecular weight of 508.82 g/mol. Its IUPAC name is methyl (5S)-5-[[(1R,2R,5R)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclopentyl]methyl]-5-(methoxymethoxymethyl)-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate.

Molecular Properties

Compound Namemethyl (5S)-5-[[(1R,2R,5R)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclopentyl]methyl]-5-(methoxymethoxymethyl)-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate
PubChem CID11762935
Molecular FormulaC29H52O5Si
Molecular Weight508.82 g/mol
Exact Mass508.36
IUPAC Namemethyl (5S)-5-[[(1R,2R,5R)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclopentyl]methyl]-5-(methoxymethoxymethyl)-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate
SMILESCOCOC[C@@]1(C[C@H]2[C@H]([C@@H](C)CO[Si](C)(C)C(C)(C)C)CC[C@H]2C)C=CC(C(C)C)=C1C(=O)OC
InChIInChI=1S/C29H52O5Si/c1-20(2)23-14-15-29(18-33-19-31-8,26(23)27(30)32-9)16-25-21(3)12-13-24(25)22(4)17-34-35(10,11)28(5,6)7/h14-15,20-22,24-25H,12-13,16-19H2,1-11H3/t21-,22+,24+,25-,29+/m1/s1
InChIKeyXDOLGJMRBKOICL-HGNGNOMLSA-N
XLogP7.00
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.82
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methyl (5S)-5-[[(1R,2R,5R)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclopentyl]methyl]-5-(methoxymethoxymethyl)-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate with MolForge

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Related Compounds

methyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate
CID 11396459
methyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-(3-oxoprop-1-en-2-yl)cyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate
CID 11811220

Frequently Asked Questions

What is the IUPAC name of methyl (5S)-5-[[(1R,2R,5R)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclopentyl]methyl]-5-(methoxymethoxymethyl)-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate?
The IUPAC name of methyl (5S)-5-[[(1R,2R,5R)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclopentyl]methyl]-5-(methoxymethoxymethyl)-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate (CID 11762935) is methyl (5S)-5-[[(1R,2R,5R)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclopentyl]methyl]-5-(methoxymethoxymethyl)-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate.
What is the SMILES notation for methyl (5S)-5-[[(1R,2R,5R)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclopentyl]methyl]-5-(methoxymethoxymethyl)-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate?
The canonical SMILES for methyl (5S)-5-[[(1R,2R,5R)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclopentyl]methyl]-5-(methoxymethoxymethyl)-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate is COCOC[C@@]1(C[C@H]2[C@H]([C@@H](C)CO[Si](C)(C)C(C)(C)C)CC[C@H]2C)C=CC(C(C)C)=C1C(=O)OC.
What is the InChIKey of methyl (5S)-5-[[(1R,2R,5R)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclopentyl]methyl]-5-(methoxymethoxymethyl)-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate?
The InChIKey is XDOLGJMRBKOICL-HGNGNOMLSA-N. The full InChI is InChI=1S/C29H52O5Si/c1-20(2)23-14-15-29(18-33-19-31-8,26(23)27(30)32-9)16-25-21(3)12-13-24(25)22(4)17-34-35(10,11)28(5,6)7/h14-15,20-22,24-25H,12-13,16-19H2,1-11H3/t21-,22+,24+,25-,29+/m1/s1.
What are the key properties of methyl (5S)-5-[[(1R,2R,5R)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclopentyl]methyl]-5-(methoxymethoxymethyl)-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate?
methyl (5S)-5-[[(1R,2R,5R)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclopentyl]methyl]-5-(methoxymethoxymethyl)-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate has a molecular weight of 508.82 g/mol, XLogP of 7.00, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S)-5-[[(1R,2R,5R)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclopentyl]methyl]-5-(methoxymethoxymethyl)-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate is sourced from PubChem (CID 11762935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).