methyl (E)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-2-enoate

C19H32O4Si — CID 14731781

IUPACmethyl (E)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-2-enoate
SMILESCOC(=O)/C=C/CCCCC1=C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C19H32O4Si/c1-19(2,3)24(5,6)23-16-13-15(17(20)14-16)11-9-7-8-10-12-18(21)22-4/h10,12-13,16H,7-9,11,14H2,1-6H3/b12-10+/t16-/m0/s1
InChIKeyHPLHCVMSUBBLQD-TYZQSYOASA-N
MW352.55 g/mol
LogP4.57
Rot. Bonds8

About methyl (E)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-2-enoate

methyl (E)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-2-enoate (PubChem CID 14731781) has the molecular formula C19H32O4Si and a molecular weight of 352.55 g/mol. Its IUPAC name is methyl (E)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-2-enoate.

Molecular Properties

Compound Namemethyl (E)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-2-enoate
PubChem CID14731781
Molecular FormulaC19H32O4Si
Molecular Weight352.55 g/mol
Exact Mass352.21
IUPAC Namemethyl (E)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-2-enoate
SMILESCOC(=O)/C=C/CCCCC1=C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C19H32O4Si/c1-19(2,3)24(5,6)23-16-13-15(17(20)14-16)11-9-7-8-10-12-18(21)22-4/h10,12-13,16H,7-9,11,14H2,1-6H3/b12-10+/t16-/m0/s1
InChIKeyHPLHCVMSUBBLQD-TYZQSYOASA-N
XLogP4.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

13,13'-Dehydrohomoancepsenolide
CID 10045822
[(9S,10E,11aR)-9-acetyloxy-10-methyl-6-methylidene-2,7-dioxo-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-3-yl]methyl acetate
CID 13895752
(2S)-2-methyl-4-[14-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tetradec-7-enyl]-2H-furan-5-one
CID 162927180
[(9R,10Z,11aR)-9-acetyloxy-10-methyl-6-methylidene-2,7-dioxo-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-3-yl]methyl acetate
CID 162998885
(R)-Methyl 7-(3-((tert-butyldimethylsilyl)oxy)-5-oxocyclopent-1-en-1-yl)heptanoate
CID 11024659
methyl (E)-2-(2-methyl-1-triethylsilyloxyprop-2-enyl)hexadec-2-enoate
CID 23729629
3-Butyl-2-methyl-5-methylidene-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-one
CID 16046348
Methyl 7-(5-oxo-3-((triethylsilyl)oxy)cyclopent-1-en-1-yl)heptanoate
CID 10991861
methyl (Z)-2-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]tetradec-2-enoate
CID 5468669
15Z-Insignoic acid E
CID 171117770
16Z-Insignoic acid E
CID 171117771
17Z-Insignoic acid E
CID 171117772

Frequently Asked Questions

What is the IUPAC name of methyl (E)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-2-enoate?
The IUPAC name of methyl (E)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-2-enoate (CID 14731781) is methyl (E)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-2-enoate.
What is the SMILES notation for methyl (E)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-2-enoate?
The canonical SMILES for methyl (E)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-2-enoate is COC(=O)/C=C/CCCCC1=C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O.
What is the InChIKey of methyl (E)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-2-enoate?
The InChIKey is HPLHCVMSUBBLQD-TYZQSYOASA-N. The full InChI is InChI=1S/C19H32O4Si/c1-19(2,3)24(5,6)23-16-13-15(17(20)14-16)11-9-7-8-10-12-18(21)22-4/h10,12-13,16H,7-9,11,14H2,1-6H3/b12-10+/t16-/m0/s1.
What are the key properties of methyl (E)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-2-enoate?
methyl (E)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-2-enoate has a molecular weight of 352.55 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-2-enoate is sourced from PubChem (CID 14731781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).