[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methanol

C19H40O3Si2 — CID 10738070

IUPAC[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(CO)=C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H40O3Si2/c1-18(2,3)23(7,8)21-16-11-15(14-20)12-17(13-16)22-24(9,10)19(4,5)6/h11,16-17,20H,12-14H2,1-10H3/t16-,17-/m0/s1
InChIKeyBWKIDLHALDTURI-IRXDYDNUSA-N
MW372.70 g/mol
LogP5.48
Rot. Bonds5

About [(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methanol

[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methanol (PubChem CID 10738070) has the molecular formula C19H40O3Si2 and a molecular weight of 372.70 g/mol. Its IUPAC name is [(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methanol.

Molecular Properties

Compound Name[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methanol
PubChem CID10738070
Molecular FormulaC19H40O3Si2
Molecular Weight372.70 g/mol
Exact Mass372.25
IUPAC Name[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(CO)=C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H40O3Si2/c1-18(2,3)23(7,8)21-16-11-15(14-20)12-17(13-16)22-24(9,10)19(4,5)6/h11,16-17,20H,12-14H2,1-10H3/t16-,17-/m0/s1
InChIKeyBWKIDLHALDTURI-IRXDYDNUSA-N
XLogP5.48
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.70
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methanol?
The IUPAC name of [(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methanol (CID 10738070) is [(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methanol.
What is the SMILES notation for [(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methanol?
The canonical SMILES for [(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methanol is CC(C)(C)[Si](C)(C)O[C@H]1CC(CO)=C[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methanol?
The InChIKey is BWKIDLHALDTURI-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H40O3Si2/c1-18(2,3)23(7,8)21-16-11-15(14-20)12-17(13-16)22-24(9,10)19(4,5)6/h11,16-17,20H,12-14H2,1-10H3/t16-,17-/m0/s1.
What are the key properties of [(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methanol?
[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methanol has a molecular weight of 372.70 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methanol is sourced from PubChem (CID 10738070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).