trans-(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol

C23H30O2Si — CID 101065622

IUPACtrans-(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol
SMILESC=C1[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC[C@H]1O
InChIInChI=1S/C23H30O2Si/c1-18-19(15-16-22(18)24)17-25-26(23(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,22,24H,1,15-17H2,2-4H3/t19-,22-/m1/s1
InChIKeyLWEBFMBXMLJPBJ-DENIHFKCSA-N
MW366.58 g/mol
LogP3.89
Rot. Bonds5

About trans-(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol

trans-(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol (PubChem CID 101065622) has the molecular formula C23H30O2Si and a molecular weight of 366.58 g/mol. Its IUPAC name is trans-(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol
PubChem CID101065622
Molecular FormulaC23H30O2Si
Molecular Weight366.58 g/mol
Exact Mass366.20
IUPAC Nametrans-(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol
SMILESC=C1[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC[C@H]1O
InChIInChI=1S/C23H30O2Si/c1-18-19(15-16-22(18)24)17-25-26(23(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,22,24H,1,15-17H2,2-4H3/t19-,22-/m1/s1
InChIKeyLWEBFMBXMLJPBJ-DENIHFKCSA-N
XLogP3.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.58
LogP ≤ 53.89
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

(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
(3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenethiolan-3-ol
CID 11383549
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylidenepyrrolidin-2-one
CID 164561891
[(1S,2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-3-methylidenecyclopentyl] benzoate
CID 56651565
(2S,3S,4aR,6S,7S,8aS,9aR,10aR)-6,7-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-2,3-diol
CID 100959653
3-[[tert-butyl(diphenyl)silyl]oxymethyl]thian-4-ol
CID 122207177
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylcyclohexan-1-ol
CID 66761813
(2S,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol
CID 99774565
tert-butyl-[(4-ethenylcyclohexyl)methoxy]-diphenylsilane
CID 156858499

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol?
The IUPAC name of trans-(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol (CID 101065622) is trans-(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol.
What is the SMILES notation for trans-(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol?
The canonical SMILES for trans-(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol is C=C1[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC[C@H]1O.
What is the InChIKey of trans-(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol?
The InChIKey is LWEBFMBXMLJPBJ-DENIHFKCSA-N. The full InChI is InChI=1S/C23H30O2Si/c1-18-19(15-16-22(18)24)17-25-26(23(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,22,24H,1,15-17H2,2-4H3/t19-,22-/m1/s1.
What are the key properties of trans-(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol?
trans-(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol has a molecular weight of 366.58 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol is sourced from PubChem (CID 101065622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).