methyl (6S)-6-[2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]ethyl]-2,6-dimethylcyclohexene-1-carboxylate

C23H40O3Si — CID 99771674

IUPACmethyl (6S)-6-[2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]ethyl]-2,6-dimethylcyclohexene-1-carboxylate
SMILESCOC(=O)C1=C(C)CCC[C@@]1(C)CCC1=CCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H40O3Si/c1-17-11-10-15-23(5,20(17)21(24)25-6)16-14-18-12-9-13-19(18)26-27(7,8)22(2,3)4/h12,19H,9-11,13-16H2,1-8H3/t19-,23-/m0/s1
InChIKeyIDQQECRJGBNFGJ-CVDCTZTESA-N
MW392.66 g/mol
LogP6.56
Rot. Bonds6

About methyl (6S)-6-[2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]ethyl]-2,6-dimethylcyclohexene-1-carboxylate

methyl (6S)-6-[2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]ethyl]-2,6-dimethylcyclohexene-1-carboxylate (PubChem CID 99771674) has the molecular formula C23H40O3Si and a molecular weight of 392.66 g/mol. Its IUPAC name is methyl (6S)-6-[2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]ethyl]-2,6-dimethylcyclohexene-1-carboxylate.

Molecular Properties

Compound Namemethyl (6S)-6-[2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]ethyl]-2,6-dimethylcyclohexene-1-carboxylate
PubChem CID99771674
Molecular FormulaC23H40O3Si
Molecular Weight392.66 g/mol
Exact Mass392.27
IUPAC Namemethyl (6S)-6-[2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]ethyl]-2,6-dimethylcyclohexene-1-carboxylate
SMILESCOC(=O)C1=C(C)CCC[C@@]1(C)CCC1=CCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H40O3Si/c1-17-11-10-15-23(5,20(17)21(24)25-6)16-14-18-12-9-13-19(18)26-27(7,8)22(2,3)4/h12,19H,9-11,13-16H2,1-8H3/t19-,23-/m0/s1
InChIKeyIDQQECRJGBNFGJ-CVDCTZTESA-N
XLogP6.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.66
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 methyl (6S)-6-[2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]ethyl]-2,6-dimethylcyclohexene-1-carboxylate?
The IUPAC name of methyl (6S)-6-[2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]ethyl]-2,6-dimethylcyclohexene-1-carboxylate (CID 99771674) is methyl (6S)-6-[2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]ethyl]-2,6-dimethylcyclohexene-1-carboxylate.
What is the SMILES notation for methyl (6S)-6-[2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]ethyl]-2,6-dimethylcyclohexene-1-carboxylate?
The canonical SMILES for methyl (6S)-6-[2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]ethyl]-2,6-dimethylcyclohexene-1-carboxylate is COC(=O)C1=C(C)CCC[C@@]1(C)CCC1=CCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (6S)-6-[2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]ethyl]-2,6-dimethylcyclohexene-1-carboxylate?
The InChIKey is IDQQECRJGBNFGJ-CVDCTZTESA-N. The full InChI is InChI=1S/C23H40O3Si/c1-17-11-10-15-23(5,20(17)21(24)25-6)16-14-18-12-9-13-19(18)26-27(7,8)22(2,3)4/h12,19H,9-11,13-16H2,1-8H3/t19-,23-/m0/s1.
What are the key properties of methyl (6S)-6-[2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]ethyl]-2,6-dimethylcyclohexene-1-carboxylate?
methyl (6S)-6-[2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]ethyl]-2,6-dimethylcyclohexene-1-carboxylate has a molecular weight of 392.66 g/mol, XLogP of 6.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6S)-6-[2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]ethyl]-2,6-dimethylcyclohexene-1-carboxylate is sourced from PubChem (CID 99771674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).