methyl (4R)-4-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-enoate

C19H34O3Si — CID 56995888

IUPACmethyl (4R)-4-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-enoate
SMILESCOC(=O)C=C[C@@H](C)[C@H]1CCC2C(O[Si](C)(C)C)CCC[C@@]21C
InChIInChI=1S/C19H34O3Si/c1-14(9-12-18(20)21-3)15-10-11-16-17(22-23(4,5)6)8-7-13-19(15,16)2/h9,12,14-17H,7-8,10-11,13H2,1-6H3/t14-,15-,16?,17?,19-/m1/s1
InChIKeyRONFLRZZSWNCIO-OATWDJNDSA-N
MW338.56 g/mol
LogP4.79
Rot. Bonds5

About methyl (4R)-4-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-enoate

methyl (4R)-4-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-enoate (PubChem CID 56995888) has the molecular formula C19H34O3Si and a molecular weight of 338.56 g/mol. Its IUPAC name is methyl (4R)-4-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-enoate.

Molecular Properties

Compound Namemethyl (4R)-4-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-enoate
PubChem CID56995888
Molecular FormulaC19H34O3Si
Molecular Weight338.56 g/mol
Exact Mass338.23
IUPAC Namemethyl (4R)-4-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-enoate
SMILESCOC(=O)C=C[C@@H](C)[C@H]1CCC2C(O[Si](C)(C)C)CCC[C@@]21C
InChIInChI=1S/C19H34O3Si/c1-14(9-12-18(20)21-3)15-10-11-16-17(22-23(4,5)6)8-7-13-19(15,16)2/h9,12,14-17H,7-8,10-11,13H2,1-6H3/t14-,15-,16?,17?,19-/m1/s1
InChIKeyRONFLRZZSWNCIO-OATWDJNDSA-N
XLogP4.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.56
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (4R)-4-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-enoate with MolForge

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Launch Full Analysis

Related Compounds

3-[2-[(1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dimethylcyclohexyl]ethyl]-2H-furan-5-one
CID 76323216
ethyl (E,4S,5S)-5-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-fluorohex-2-enoate
CID 168232554
ethyl (2E)-2-[(1R,3aS,7aR)-1-[(2S,3R)-3-fluoro-6-methyl-6-triethylsilyloxyheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]acetate
CID 168232564
ethyl (2E)-2-[(1R,3aS,7aR)-1-[(2S)-3,3-difluoro-6-methyl-6-triethylsilyloxyheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]acetate
CID 168232567
ethyl (E,5S)-5-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4,4-difluorohex-2-enoate
CID 168232570
ethyl (E,4R,5S)-5-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-fluorohex-2-enoate
CID 168232581
ethyl (2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-(difluoromethyl)-7,7-difluoro-6-trimethylsilyloxyheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]acetate
CID 168232596
ethyl (2E)-2-[(1R,3aS,7aR)-1-(3-fluoro-6-methyl-6-triethylsilyloxyheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]acetate
CID 174105616
ethyl 2-[(1R,3aS,7aR)-1-[(2S,3R)-3-fluoro-6-methyl-6-triethylsilyloxyheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]acetate
CID 174105617
ethyl (2E)-2-[(1R,3aS,7aR)-1-[(2R)-4,4-difluoro-6-methyl-6-triethylsilyloxyheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]acetate
CID 174105653
ethyl 2-[(1R,3aS,7aR)-1-[(2R)-4,4-difluoro-6-methyl-6-triethylsilyloxyheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]acetate
CID 174105654
(E,5S)-5-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4,4-difluorohex-2-enoic acid
CID 174105740

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-enoate?
The IUPAC name of methyl (4R)-4-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-enoate (CID 56995888) is methyl (4R)-4-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-enoate.
What is the SMILES notation for methyl (4R)-4-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-enoate?
The canonical SMILES for methyl (4R)-4-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-enoate is COC(=O)C=C[C@@H](C)[C@H]1CCC2C(O[Si](C)(C)C)CCC[C@@]21C.
What is the InChIKey of methyl (4R)-4-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-enoate?
The InChIKey is RONFLRZZSWNCIO-OATWDJNDSA-N. The full InChI is InChI=1S/C19H34O3Si/c1-14(9-12-18(20)21-3)15-10-11-16-17(22-23(4,5)6)8-7-13-19(15,16)2/h9,12,14-17H,7-8,10-11,13H2,1-6H3/t14-,15-,16?,17?,19-/m1/s1.
What are the key properties of methyl (4R)-4-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-enoate?
methyl (4R)-4-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-enoate has a molecular weight of 338.56 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-enoate is sourced from PubChem (CID 56995888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).