methyl 7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-6-oxoheptanoate

C19H32O5Si — CID 10384421

IUPACmethyl 7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-6-oxoheptanoate
SMILESCOC(=O)CCCCC(=O)CC1=C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C19H32O5Si/c1-19(2,3)25(5,6)24-16-12-14(17(21)13-16)11-15(20)9-7-8-10-18(22)23-4/h12,16H,7-11,13H2,1-6H3/t16-/m0/s1
InChIKeyUUBVUIVEWLVFCN-INIZCTEOSA-N
MW368.55 g/mol
LogP3.97
Rot. Bonds9

About methyl 7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-6-oxoheptanoate

methyl 7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-6-oxoheptanoate (PubChem CID 10384421) has the molecular formula C19H32O5Si and a molecular weight of 368.55 g/mol. Its IUPAC name is methyl 7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-6-oxoheptanoate.

Molecular Properties

Compound Namemethyl 7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-6-oxoheptanoate
PubChem CID10384421
Molecular FormulaC19H32O5Si
Molecular Weight368.55 g/mol
Exact Mass368.20
IUPAC Namemethyl 7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-6-oxoheptanoate
SMILESCOC(=O)CCCCC(=O)CC1=C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C19H32O5Si/c1-19(2,3)25(5,6)24-16-12-14(17(21)13-16)11-15(20)9-7-8-10-18(22)23-4/h12,16H,7-11,13H2,1-6H3/t16-/m0/s1
InChIKeyUUBVUIVEWLVFCN-INIZCTEOSA-N
XLogP3.97
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 53.97
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'}

Analyze methyl 7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-6-oxoheptanoate with MolForge

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Launch Full Analysis

Related Compounds

(R)-Methyl 7-(3-((tert-butyldimethylsilyl)oxy)-5-oxocyclopent-1-en-1-yl)heptanoate
CID 11024659
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
Prosta-8(12),13-dien-1-oic acid, 9-oxo-15-[(trimethylsilyl)oxy]-, trimethylsilyl ester, (13E,15S)-
CID 21159433
methyl 7-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]heptanoate
CID 14731773
(R)-Methyl 7-(5-oxo-3-((triethylsilyl)oxy)cyclopent-1-en-1-yl)heptanoate
CID 10832001
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4R)-4-triethylsilyloxypentanoyl]cyclopent-2-en-1-one
CID 71544953
methyl 7-[(3S)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]heptanoate
CID 99773975
Methyl 8-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxocyclopenten-1-yl]octanoate
CID 101491500
4-[Tert-butyl(dimethyl)silyl]oxy-2-[7-(1-ethoxyethoxy)heptyl]cyclopent-2-en-1-one
CID 134901744
ethyl (2Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2-[3-(5-oxo-2H-furan-4-yl)propylidene]hept-6-enoate
CID 134962603

Frequently Asked Questions

What is the IUPAC name of methyl 7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-6-oxoheptanoate?
The IUPAC name of methyl 7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-6-oxoheptanoate (CID 10384421) is methyl 7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-6-oxoheptanoate.
What is the SMILES notation for methyl 7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-6-oxoheptanoate?
The canonical SMILES for methyl 7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-6-oxoheptanoate is COC(=O)CCCCC(=O)CC1=C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O.
What is the InChIKey of methyl 7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-6-oxoheptanoate?
The InChIKey is UUBVUIVEWLVFCN-INIZCTEOSA-N. The full InChI is InChI=1S/C19H32O5Si/c1-19(2,3)25(5,6)24-16-12-14(17(21)13-16)11-15(20)9-7-8-10-18(22)23-4/h12,16H,7-11,13H2,1-6H3/t16-/m0/s1.
What are the key properties of methyl 7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-6-oxoheptanoate?
methyl 7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-6-oxoheptanoate has a molecular weight of 368.55 g/mol, XLogP of 3.97, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-6-oxoheptanoate is sourced from PubChem (CID 10384421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).