cis-(2R,5R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-cyclopropylethynyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol

C22H40O2Si — CID 11772931

IUPACcis-(2R,5R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-cyclopropylethynyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol
SMILESCC(C)[C@H]1CC[C@](C)(CCO[Si](C)(C)C(C)(C)C)C1(O)C#CC1CC1
InChIInChI=1S/C22H40O2Si/c1-17(2)19-12-13-21(6,22(19,23)14-11-18-9-10-18)15-16-24-25(7,8)20(3,4)5/h17-19,23H,9-10,12-13,15-16H2,1-8H3/t19-,21-,22?/m1/s1
InChIKeyIPUPUJKDKBNHME-ZJBPFHOOSA-N
MW364.65 g/mol
LogP5.62
Rot. Bonds5

About cis-(2R,5R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-cyclopropylethynyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol

cis-(2R,5R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-cyclopropylethynyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol (PubChem CID 11772931) has the molecular formula C22H40O2Si and a molecular weight of 364.65 g/mol. Its IUPAC name is cis-(2R,5R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-cyclopropylethynyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol.

Molecular Properties

Compound Namecis-(2R,5R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-cyclopropylethynyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol
PubChem CID11772931
Molecular FormulaC22H40O2Si
Molecular Weight364.65 g/mol
Exact Mass364.28
IUPAC Namecis-(2R,5R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-cyclopropylethynyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol
SMILESCC(C)[C@H]1CC[C@](C)(CCO[Si](C)(C)C(C)(C)C)C1(O)C#CC1CC1
InChIInChI=1S/C22H40O2Si/c1-17(2)19-12-13-21(6,22(19,23)14-11-18-9-10-18)15-16-24-25(7,8)20(3,4)5/h17-19,23H,9-10,12-13,15-16H2,1-8H3/t19-,21-,22?/m1/s1
InChIKeyIPUPUJKDKBNHME-ZJBPFHOOSA-N
XLogP5.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.65
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(2R,5R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-cyclopropylethynyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol?
The IUPAC name of cis-(2R,5R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-cyclopropylethynyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol (CID 11772931) is cis-(2R,5R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-cyclopropylethynyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol.
What is the SMILES notation for cis-(2R,5R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-cyclopropylethynyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol?
The canonical SMILES for cis-(2R,5R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-cyclopropylethynyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol is CC(C)[C@H]1CC[C@](C)(CCO[Si](C)(C)C(C)(C)C)C1(O)C#CC1CC1.
What is the InChIKey of cis-(2R,5R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-cyclopropylethynyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol?
The InChIKey is IPUPUJKDKBNHME-ZJBPFHOOSA-N. The full InChI is InChI=1S/C22H40O2Si/c1-17(2)19-12-13-21(6,22(19,23)14-11-18-9-10-18)15-16-24-25(7,8)20(3,4)5/h17-19,23H,9-10,12-13,15-16H2,1-8H3/t19-,21-,22?/m1/s1.
What are the key properties of cis-(2R,5R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-cyclopropylethynyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol?
cis-(2R,5R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-cyclopropylethynyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol has a molecular weight of 364.65 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,5R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-cyclopropylethynyl)-2-methyl-5-propan-2-ylcyclopentan-1-ol is sourced from PubChem (CID 11772931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).