cis-methyl (1S,2R)-2-[5-[tert-butyl(diphenyl)silyl]oxypent-1-en-2-yl]-5-oxocyclopentane-1-carboxylate

C28H36O4Si — CID 11123461

IUPACcis-methyl (1S,2R)-2-[5-[tert-butyl(diphenyl)silyl]oxypent-1-en-2-yl]-5-oxocyclopentane-1-carboxylate
SMILESC=C(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1CCC(=O)[C@H]1C(=O)OC
InChIInChI=1S/C28H36O4Si/c1-21(24-18-19-25(29)26(24)27(30)31-5)13-12-20-32-33(28(2,3)4,22-14-8-6-9-15-22)23-16-10-7-11-17-23/h6-11,14-17,24,26H,1,12-13,18-20H2,2-5H3/t24-,26-/m0/s1
InChIKeyVSCKHVGGHMVORG-AHWVRZQESA-N
MW464.68 g/mol
LogP4.67
Rot. Bonds9

About cis-methyl (1S,2R)-2-[5-[tert-butyl(diphenyl)silyl]oxypent-1-en-2-yl]-5-oxocyclopentane-1-carboxylate

cis-methyl (1S,2R)-2-[5-[tert-butyl(diphenyl)silyl]oxypent-1-en-2-yl]-5-oxocyclopentane-1-carboxylate (PubChem CID 11123461) has the molecular formula C28H36O4Si and a molecular weight of 464.68 g/mol. Its IUPAC name is cis-methyl (1S,2R)-2-[5-[tert-butyl(diphenyl)silyl]oxypent-1-en-2-yl]-5-oxocyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,2R)-2-[5-[tert-butyl(diphenyl)silyl]oxypent-1-en-2-yl]-5-oxocyclopentane-1-carboxylate
PubChem CID11123461
Molecular FormulaC28H36O4Si
Molecular Weight464.68 g/mol
Exact Mass464.24
IUPAC Namecis-methyl (1S,2R)-2-[5-[tert-butyl(diphenyl)silyl]oxypent-1-en-2-yl]-5-oxocyclopentane-1-carboxylate
SMILESC=C(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1CCC(=O)[C@H]1C(=O)OC
InChIInChI=1S/C28H36O4Si/c1-21(24-18-19-25(29)26(24)27(30)31-5)13-12-20-32-33(28(2,3)4,22-14-8-6-9-15-22)23-16-10-7-11-17-23/h6-11,14-17,24,26H,1,12-13,18-20H2,2-5H3/t24-,26-/m0/s1
InChIKeyVSCKHVGGHMVORG-AHWVRZQESA-N
XLogP4.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.68
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

trans-ethyl (1R,2S)-2-[5-[tert-butyl(diphenyl)silyl]oxypent-1-en-2-yl]-1-methyl-5-oxocyclopentane-1-carboxylate
CID 10973043
5-[tert-butyl(diphenyl)silyl]oxy-2-methylidenepentanal
CID 10665724
tert-butyl-diphenyl-(4-phenylpent-4-enoxy)silane
CID 71605136
methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhex-2-enoate
CID 99772672
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243
5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate
CID 172860642
trans-methyl (2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxycyclopentane-1-carboxylate
CID 140825988
methyl 3-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-6-oxocyclohexen-1-yl]propanoate
CID 25228856
(2E)-2-benzylidene-5-[tert-butyl(diphenyl)silyl]oxypentanal
CID 71605137
prop-2-enyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cycloprop-2-ene-1-carboxylate
CID 102171832
(5S)-5-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]pyrrolidin-2-one
CID 45103028
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,2R)-2-[5-[tert-butyl(diphenyl)silyl]oxypent-1-en-2-yl]-5-oxocyclopentane-1-carboxylate?
The IUPAC name of cis-methyl (1S,2R)-2-[5-[tert-butyl(diphenyl)silyl]oxypent-1-en-2-yl]-5-oxocyclopentane-1-carboxylate (CID 11123461) is cis-methyl (1S,2R)-2-[5-[tert-butyl(diphenyl)silyl]oxypent-1-en-2-yl]-5-oxocyclopentane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,2R)-2-[5-[tert-butyl(diphenyl)silyl]oxypent-1-en-2-yl]-5-oxocyclopentane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,2R)-2-[5-[tert-butyl(diphenyl)silyl]oxypent-1-en-2-yl]-5-oxocyclopentane-1-carboxylate is C=C(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1CCC(=O)[C@H]1C(=O)OC.
What is the InChIKey of cis-methyl (1S,2R)-2-[5-[tert-butyl(diphenyl)silyl]oxypent-1-en-2-yl]-5-oxocyclopentane-1-carboxylate?
The InChIKey is VSCKHVGGHMVORG-AHWVRZQESA-N. The full InChI is InChI=1S/C28H36O4Si/c1-21(24-18-19-25(29)26(24)27(30)31-5)13-12-20-32-33(28(2,3)4,22-14-8-6-9-15-22)23-16-10-7-11-17-23/h6-11,14-17,24,26H,1,12-13,18-20H2,2-5H3/t24-,26-/m0/s1.
What are the key properties of cis-methyl (1S,2R)-2-[5-[tert-butyl(diphenyl)silyl]oxypent-1-en-2-yl]-5-oxocyclopentane-1-carboxylate?
cis-methyl (1S,2R)-2-[5-[tert-butyl(diphenyl)silyl]oxypent-1-en-2-yl]-5-oxocyclopentane-1-carboxylate has a molecular weight of 464.68 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1S,2R)-2-[5-[tert-butyl(diphenyl)silyl]oxypent-1-en-2-yl]-5-oxocyclopentane-1-carboxylate is sourced from PubChem (CID 11123461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).