trans-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(4,4-dimethylcyclopenten-1-yl)cyclopropan-1-ol

C18H34O2Si — CID 134941785

IUPACtrans-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(4,4-dimethylcyclopenten-1-yl)cyclopropan-1-ol
SMILESCC1(C)CC=C([C@@]2(O)C[C@H]2CCO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C18H34O2Si/c1-16(2,3)21(6,7)20-11-9-15-13-18(15,19)14-8-10-17(4,5)12-14/h8,15,19H,9-13H2,1-7H3/t15-,18+/m1/s1
InChIKeyMQOTWCCFJOKNFX-QAPCUYQASA-N
MW310.55 g/mol
LogP4.90
Rot. Bonds5

About trans-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(4,4-dimethylcyclopenten-1-yl)cyclopropan-1-ol

trans-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(4,4-dimethylcyclopenten-1-yl)cyclopropan-1-ol (PubChem CID 134941785) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is trans-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(4,4-dimethylcyclopenten-1-yl)cyclopropan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(4,4-dimethylcyclopenten-1-yl)cyclopropan-1-ol
PubChem CID134941785
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Nametrans-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(4,4-dimethylcyclopenten-1-yl)cyclopropan-1-ol
SMILESCC1(C)CC=C([C@@]2(O)C[C@H]2CCO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C18H34O2Si/c1-16(2,3)21(6,7)20-11-9-15-13-18(15,19)14-8-10-17(4,5)12-14/h8,15,19H,9-13H2,1-7H3/t15-,18+/m1/s1
InChIKeyMQOTWCCFJOKNFX-QAPCUYQASA-N
XLogP4.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.55
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2R)-2-[5-cyclohexa-1,4-dien-1-yl-2-tri(propan-2-yl)silyloxypentyl]-1-methylcyclopropan-1-ol
CID 10971240
trans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 11759563
trans-(1R,2R)-1-(cyclohexen-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 101029064
trans-(1S,2S)-1-(cyclopenten-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 134931231
(1R,4S,5S,7S)-4-[tert-butyl(dimethyl)silyl]oxy-5,8,8-trimethyl-3-prop-2-enylbicyclo[5.1.0]oct-2-en-1-ol
CID 134952997
cis-(1R,2R)-1-(3-cyclohexa-1,4-dien-1-ylpropyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 134997610
(3aR,13aS)-1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1,4,5,6,7,8,9,10,11,12,13,13a-dodecahydrocyclopenta[12]annulen-3a-ol
CID 138968866
cis-(1S,2S)-1-(3-cyclohexa-1,4-dien-1-ylpropyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 146018985
(4R,5S)-7-methyl-5-triethylsilyloxyspiro[1,3a,4,5-tetrahydroindene-6,1'-cyclopropane]-1,4-diol
CID 15834938
4-[Tert-butyl(dimethyl)silyl]oxy-1,2-dipentylcyclopent-2-en-1-ol
CID 69134815
(4R,5R)-4,7-dimethyl-5-triethylsilyloxyspiro[1,3a,4,5-tetrahydroindene-6,1'-cyclopropane]-1-ol
CID 71129640
[3,4-Bis(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclopenten-1-yl]methanol
CID 173298595

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(4,4-dimethylcyclopenten-1-yl)cyclopropan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(4,4-dimethylcyclopenten-1-yl)cyclopropan-1-ol (CID 134941785) is trans-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(4,4-dimethylcyclopenten-1-yl)cyclopropan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(4,4-dimethylcyclopenten-1-yl)cyclopropan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(4,4-dimethylcyclopenten-1-yl)cyclopropan-1-ol is CC1(C)CC=C([C@@]2(O)C[C@H]2CCO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of trans-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(4,4-dimethylcyclopenten-1-yl)cyclopropan-1-ol?
The InChIKey is MQOTWCCFJOKNFX-QAPCUYQASA-N. The full InChI is InChI=1S/C18H34O2Si/c1-16(2,3)21(6,7)20-11-9-15-13-18(15,19)14-8-10-17(4,5)12-14/h8,15,19H,9-13H2,1-7H3/t15-,18+/m1/s1.
What are the key properties of trans-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(4,4-dimethylcyclopenten-1-yl)cyclopropan-1-ol?
trans-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(4,4-dimethylcyclopenten-1-yl)cyclopropan-1-ol has a molecular weight of 310.55 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(4,4-dimethylcyclopenten-1-yl)cyclopropan-1-ol is sourced from PubChem (CID 134941785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).