methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-(4,4-dimethylcyclopenten-1-yl)pentanoate

C19H36O3Si — CID 10991451

IUPACmethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-(4,4-dimethylcyclopenten-1-yl)pentanoate
SMILESCOC(=O)C(CCCO[Si](C)(C)C(C)(C)C)C1=CCC(C)(C)C1
InChIInChI=1S/C19H36O3Si/c1-18(2,3)23(7,8)22-13-9-10-16(17(20)21-6)15-11-12-19(4,5)14-15/h11,16H,9-10,12-14H2,1-8H3
InChIKeyJHFZWDGAUBPUHI-UHFFFAOYSA-N
MW340.58 g/mol
LogP5.32
Rot. Bonds7

About methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-(4,4-dimethylcyclopenten-1-yl)pentanoate

methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-(4,4-dimethylcyclopenten-1-yl)pentanoate (PubChem CID 10991451) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-(4,4-dimethylcyclopenten-1-yl)pentanoate.

Molecular Properties

Compound Namemethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-(4,4-dimethylcyclopenten-1-yl)pentanoate
PubChem CID10991451
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Namemethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-(4,4-dimethylcyclopenten-1-yl)pentanoate
SMILESCOC(=O)C(CCCO[Si](C)(C)C(C)(C)C)C1=CCC(C)(C)C1
InChIInChI=1S/C19H36O3Si/c1-18(2,3)23(7,8)22-13-9-10-16(17(20)21-6)15-11-12-19(4,5)14-15/h11,16H,9-10,12-14H2,1-8H3
InChIKeyJHFZWDGAUBPUHI-UHFFFAOYSA-N
XLogP5.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[(3aR,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,6,6a-tetrahydro-1H-pentalen-3a-yl]propanoate
CID 10914730
Ethyl 1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-4-methylcyclohex-3-ene-1-carboxylate
CID 49871243
methyl (3S)-3-[(1R)-4,4-dimethyl-1-prop-2-enyl-2-trimethylsilyloxycyclopent-2-en-1-yl]butanoate
CID 134844353
[(1R,6S)-4,6-dimethylcyclohex-3-en-1-yl] (5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoate
CID 135009086
trans-methyl (1R,3R)-2-methylidene-1-prop-2-enyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate
CID 154707336
(1S,6S,9R,13R,14Z,17R,19S)-14-[diethoxy(methyl)silyl]-6,13,19-trimethyl-11-methylidene-9-propyl-8,20-dioxabicyclo[15.2.1]icos-14-en-7-one
CID 72700970
(1S,6S,9R,13R,14Z,17R,19S)-15-[diethoxy(methyl)silyl]-6,13,19-trimethyl-11-methylidene-9-propyl-8,20-dioxabicyclo[15.2.1]icos-14-en-7-one
CID 72700971
(6S,7S,9E,12R)-6-(tert-Butyldimethylsilyloxy)-12-isopropyl-7-methyloxacyclododec-9-en-2-one
CID 89570972
(6S,7S,12R)-6-[tert-butyl(dimethyl)silyl]oxy-7-methyl-12-propan-2-yl-1-oxacyclododec-9-en-2-one
CID 123463497
(6S,7S,9Z,12R)-6-[tert-butyl(dimethyl)silyl]oxy-7-methyl-12-propan-2-yl-1-oxacyclododec-9-en-2-one
CID 140658617
(3R,4S)-4-[(Z)-but-2-en-2-yl]-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-one
CID 10881526
2-[(1R,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-2-methylcyclopent-2-en-1-yl]acetic acid
CID 11089112

Frequently Asked Questions

What is the IUPAC name of methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-(4,4-dimethylcyclopenten-1-yl)pentanoate?
The IUPAC name of methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-(4,4-dimethylcyclopenten-1-yl)pentanoate (CID 10991451) is methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-(4,4-dimethylcyclopenten-1-yl)pentanoate.
What is the SMILES notation for methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-(4,4-dimethylcyclopenten-1-yl)pentanoate?
The canonical SMILES for methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-(4,4-dimethylcyclopenten-1-yl)pentanoate is COC(=O)C(CCCO[Si](C)(C)C(C)(C)C)C1=CCC(C)(C)C1.
What is the InChIKey of methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-(4,4-dimethylcyclopenten-1-yl)pentanoate?
The InChIKey is JHFZWDGAUBPUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-18(2,3)23(7,8)22-13-9-10-16(17(20)21-6)15-11-12-19(4,5)14-15/h11,16H,9-10,12-14H2,1-8H3.
What are the key properties of methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-(4,4-dimethylcyclopenten-1-yl)pentanoate?
methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-(4,4-dimethylcyclopenten-1-yl)pentanoate has a molecular weight of 340.58 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-(4,4-dimethylcyclopenten-1-yl)pentanoate is sourced from PubChem (CID 10991451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).