trans-(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-ol

C20H40O2Si — CID 10497387

IUPACtrans-(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC[C@]1(C)[C@@]1(C)CCCC[C@H]1O
InChIInChI=1S/C20H40O2Si/c1-18(2,3)23(6,7)22-15-16-11-10-14-19(16,4)20(5)13-9-8-12-17(20)21/h16-17,21H,8-15H2,1-7H3/t16-,17+,19-,20-/m0/s1
InChIKeyWNKODGLQFLAYKP-HNJRGHQBSA-N
MW340.62 g/mol
LogP5.76
Rot. Bonds4

About trans-(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-ol

trans-(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-ol (PubChem CID 10497387) has the molecular formula C20H40O2Si and a molecular weight of 340.62 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-ol
PubChem CID10497387
Molecular FormulaC20H40O2Si
Molecular Weight340.62 g/mol
Exact Mass340.28
IUPAC Nametrans-(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC[C@]1(C)[C@@]1(C)CCCC[C@H]1O
InChIInChI=1S/C20H40O2Si/c1-18(2,3)23(6,7)22-15-16-11-10-14-19(16,4)20(5)13-9-8-12-17(20)21/h16-17,21H,8-15H2,1-7H3/t16-,17+,19-,20-/m0/s1
InChIKeyWNKODGLQFLAYKP-HNJRGHQBSA-N
XLogP5.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.62
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-ol (CID 10497387) is trans-(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-ol is CC(C)(C)[Si](C)(C)OC[C@@H]1CCC[C@]1(C)[C@@]1(C)CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-ol?
The InChIKey is WNKODGLQFLAYKP-HNJRGHQBSA-N. The full InChI is InChI=1S/C20H40O2Si/c1-18(2,3)23(6,7)22-15-16-11-10-14-19(16,4)20(5)13-9-8-12-17(20)21/h16-17,21H,8-15H2,1-7H3/t16-,17+,19-,20-/m0/s1.
What are the key properties of trans-(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-ol?
trans-(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-ol has a molecular weight of 340.62 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-ol is sourced from PubChem (CID 10497387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).