[(1S,5S)-5-[(1S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentyl]cyclopent-2-en-1-yl]methyl 2,2-dimethylpropanoate

C28H56O4Si2 — CID 11613202

IUPAC[(1S,5S)-5-[(1S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentyl]cyclopent-2-en-1-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC[C@H]1C=CC[C@@H]1[C@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H56O4Si2/c1-26(2,3)25(29)30-21-22-17-16-18-23(22)24(32-34(12,13)28(7,8)9)19-14-15-20-31-33(10,11)27(4,5)6/h16-17,22-24H,14-15,18-21H2,1-13H3/t22-,23+,24+/m1/s1
InChIKeySHMARUZZDLRLPL-SGNDLWITSA-N
MW512.92 g/mol
LogP8.35
Rot. Bonds11

About [(1S,5S)-5-[(1S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentyl]cyclopent-2-en-1-yl]methyl 2,2-dimethylpropanoate

[(1S,5S)-5-[(1S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentyl]cyclopent-2-en-1-yl]methyl 2,2-dimethylpropanoate (PubChem CID 11613202) has the molecular formula C28H56O4Si2 and a molecular weight of 512.92 g/mol. Its IUPAC name is [(1S,5S)-5-[(1S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentyl]cyclopent-2-en-1-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(1S,5S)-5-[(1S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentyl]cyclopent-2-en-1-yl]methyl 2,2-dimethylpropanoate
PubChem CID11613202
Molecular FormulaC28H56O4Si2
Molecular Weight512.92 g/mol
Exact Mass512.37
IUPAC Name[(1S,5S)-5-[(1S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentyl]cyclopent-2-en-1-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC[C@H]1C=CC[C@@H]1[C@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H56O4Si2/c1-26(2,3)25(29)30-21-22-17-16-18-23(22)24(32-34(12,13)28(7,8)9)19-14-15-20-31-33(10,11)27(4,5)6/h16-17,22-24H,14-15,18-21H2,1-13H3/t22-,23+,24+/m1/s1
InChIKeySHMARUZZDLRLPL-SGNDLWITSA-N
XLogP8.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.92
LogP ≤ 58.35
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S,5S)-5-[(1S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentyl]cyclopent-2-en-1-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [(1S,5S)-5-[(1S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentyl]cyclopent-2-en-1-yl]methyl 2,2-dimethylpropanoate (CID 11613202) is [(1S,5S)-5-[(1S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentyl]cyclopent-2-en-1-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [(1S,5S)-5-[(1S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentyl]cyclopent-2-en-1-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [(1S,5S)-5-[(1S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentyl]cyclopent-2-en-1-yl]methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC[C@H]1C=CC[C@@H]1[C@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1S,5S)-5-[(1S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentyl]cyclopent-2-en-1-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is SHMARUZZDLRLPL-SGNDLWITSA-N. The full InChI is InChI=1S/C28H56O4Si2/c1-26(2,3)25(29)30-21-22-17-16-18-23(22)24(32-34(12,13)28(7,8)9)19-14-15-20-31-33(10,11)27(4,5)6/h16-17,22-24H,14-15,18-21H2,1-13H3/t22-,23+,24+/m1/s1.
What are the key properties of [(1S,5S)-5-[(1S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentyl]cyclopent-2-en-1-yl]methyl 2,2-dimethylpropanoate?
[(1S,5S)-5-[(1S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentyl]cyclopent-2-en-1-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 512.92 g/mol, XLogP of 8.35, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S)-5-[(1S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentyl]cyclopent-2-en-1-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 11613202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).