[2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-[(1R,2S)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]methanol

C33H58O3Si2 — CID 71479669

IUPAC[2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-[(1R,2S)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]methanol
SMILESC[C@H]1CCC2=C(CCCC2(C)C)[C@]1(C)C(O)c1cc(O[Si](C)(C)C(C)(C)C)ccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H58O3Si2/c1-23-17-19-26-27(16-15-21-32(26,8)9)33(23,10)29(34)25-22-24(35-37(11,12)30(2,3)4)18-20-28(25)36-38(13,14)31(5,6)7/h18,20,22-23,29,34H,15-17,19,21H2,1-14H3/t23-,29?,33+/m0/s1
InChIKeyANIJYHXMDGYFOK-DHBGATPCSA-N
MW559.00 g/mol
LogP10.43
Rot. Bonds6

About [2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-[(1R,2S)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]methanol

[2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-[(1R,2S)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]methanol (PubChem CID 71479669) has the molecular formula C33H58O3Si2 and a molecular weight of 559.00 g/mol. Its IUPAC name is [2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-[(1R,2S)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]methanol.

Molecular Properties

Compound Name[2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-[(1R,2S)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]methanol
PubChem CID71479669
Molecular FormulaC33H58O3Si2
Molecular Weight559.00 g/mol
Exact Mass558.39
IUPAC Name[2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-[(1R,2S)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]methanol
SMILESC[C@H]1CCC2=C(CCCC2(C)C)[C@]1(C)C(O)c1cc(O[Si](C)(C)C(C)(C)C)ccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H58O3Si2/c1-23-17-19-26-27(16-15-21-32(26,8)9)33(23,10)29(34)25-22-24(35-37(11,12)30(2,3)4)18-20-28(25)36-38(13,14)31(5,6)7/h18,20,22-23,29,34H,15-17,19,21H2,1-14H3/t23-,29?,33+/m0/s1
InChIKeyANIJYHXMDGYFOK-DHBGATPCSA-N
XLogP10.43
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.00
LogP ≤ 510.43
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 [2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-[(1R,2S)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]methanol?
The IUPAC name of [2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-[(1R,2S)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]methanol (CID 71479669) is [2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-[(1R,2S)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]methanol.
What is the SMILES notation for [2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-[(1R,2S)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]methanol?
The canonical SMILES for [2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-[(1R,2S)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]methanol is C[C@H]1CCC2=C(CCCC2(C)C)[C@]1(C)C(O)c1cc(O[Si](C)(C)C(C)(C)C)ccc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-[(1R,2S)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]methanol?
The InChIKey is ANIJYHXMDGYFOK-DHBGATPCSA-N. The full InChI is InChI=1S/C33H58O3Si2/c1-23-17-19-26-27(16-15-21-32(26,8)9)33(23,10)29(34)25-22-24(35-37(11,12)30(2,3)4)18-20-28(25)36-38(13,14)31(5,6)7/h18,20,22-23,29,34H,15-17,19,21H2,1-14H3/t23-,29?,33+/m0/s1.
What are the key properties of [2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-[(1R,2S)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]methanol?
[2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-[(1R,2S)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]methanol has a molecular weight of 559.00 g/mol, XLogP of 10.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-[(1R,2S)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]methanol is sourced from PubChem (CID 71479669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).