2,6-bis[[tert-butyl(diphenyl)silyl]oxy]-4-(2-hydroxyethylidene)-3-methylidenecyclohexan-1-ol

C41H50O4Si2 — CID 54396942

IUPAC2,6-bis[[tert-butyl(diphenyl)silyl]oxy]-4-(2-hydroxyethylidene)-3-methylidenecyclohexan-1-ol
SMILESC=C1C(=CCO)CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(O)C1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C41H50O4Si2/c1-31-32(28-29-42)30-37(44-46(40(2,3)4,33-20-12-8-13-21-33)34-22-14-9-15-23-34)38(43)39(31)45-47(41(5,6)7,35-24-16-10-17-25-35)36-26-18-11-19-27-36/h8-28,37-39,42-43H,1,29-30H2,2-7H3
InChIKeyVKQVNXHHBOZYLU-UHFFFAOYSA-N
MW663.02 g/mol
LogP6.12
Rot. Bonds9

About 2,6-bis[[tert-butyl(diphenyl)silyl]oxy]-4-(2-hydroxyethylidene)-3-methylidenecyclohexan-1-ol

2,6-bis[[tert-butyl(diphenyl)silyl]oxy]-4-(2-hydroxyethylidene)-3-methylidenecyclohexan-1-ol (PubChem CID 54396942) has the molecular formula C41H50O4Si2 and a molecular weight of 663.02 g/mol. Its IUPAC name is 2,6-bis[[tert-butyl(diphenyl)silyl]oxy]-4-(2-hydroxyethylidene)-3-methylidenecyclohexan-1-ol.

Molecular Properties

Compound Name2,6-bis[[tert-butyl(diphenyl)silyl]oxy]-4-(2-hydroxyethylidene)-3-methylidenecyclohexan-1-ol
PubChem CID54396942
Molecular FormulaC41H50O4Si2
Molecular Weight663.02 g/mol
Exact Mass662.32
IUPAC Name2,6-bis[[tert-butyl(diphenyl)silyl]oxy]-4-(2-hydroxyethylidene)-3-methylidenecyclohexan-1-ol
SMILESC=C1C(=CCO)CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(O)C1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C41H50O4Si2/c1-31-32(28-29-42)30-37(44-46(40(2,3)4,33-20-12-8-13-21-33)34-22-14-9-15-23-34)38(43)39(31)45-47(41(5,6)7,35-24-16-10-17-25-35)36-26-18-11-19-27-36/h8-28,37-39,42-43H,1,29-30H2,2-7H3
InChIKeyVKQVNXHHBOZYLU-UHFFFAOYSA-N
XLogP6.12
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.02
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3S,5S)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-2-methylidenecyclohexylidene]ethanol
CID 56989707
(2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethanol
CID 162404924
tert-butyl-[3-[tert-butyl(diphenyl)silyl]oxy-5-ethylidene-4-methylidene-2-prop-2-enoxycyclohexyl]oxy-diphenylsilane
CID 54131123
tert-butyl-[(1S,3S,5Z)-3-[tert-butyl(diphenyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)-4-methylidenecyclohexyl]oxy-diphenylsilane
CID 86754892
trans-(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol
CID 101065622
(3S,4S,5S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 10811969
3-[tert-butyl(diphenyl)silyl]oxy-4-ethenylpyrrolidine-1-carboxylic acid
CID 67033690
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
(1R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-ol
CID 11739262
(1R,4R,5S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-5-hydroxytricyclo[5.2.1.04,10]decan-2-one
CID 99772296
tert-butyl-[(2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethoxy]-diphenylsilane
CID 11519300
[(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-7-chloro-2,3-dihydro-1H-inden-2-yl] carbamate
CID 140845764

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[[tert-butyl(diphenyl)silyl]oxy]-4-(2-hydroxyethylidene)-3-methylidenecyclohexan-1-ol?
The IUPAC name of 2,6-bis[[tert-butyl(diphenyl)silyl]oxy]-4-(2-hydroxyethylidene)-3-methylidenecyclohexan-1-ol (CID 54396942) is 2,6-bis[[tert-butyl(diphenyl)silyl]oxy]-4-(2-hydroxyethylidene)-3-methylidenecyclohexan-1-ol.
What is the SMILES notation for 2,6-bis[[tert-butyl(diphenyl)silyl]oxy]-4-(2-hydroxyethylidene)-3-methylidenecyclohexan-1-ol?
The canonical SMILES for 2,6-bis[[tert-butyl(diphenyl)silyl]oxy]-4-(2-hydroxyethylidene)-3-methylidenecyclohexan-1-ol is C=C1C(=CCO)CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(O)C1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 2,6-bis[[tert-butyl(diphenyl)silyl]oxy]-4-(2-hydroxyethylidene)-3-methylidenecyclohexan-1-ol?
The InChIKey is VKQVNXHHBOZYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H50O4Si2/c1-31-32(28-29-42)30-37(44-46(40(2,3)4,33-20-12-8-13-21-33)34-22-14-9-15-23-34)38(43)39(31)45-47(41(5,6)7,35-24-16-10-17-25-35)36-26-18-11-19-27-36/h8-28,37-39,42-43H,1,29-30H2,2-7H3.
What are the key properties of 2,6-bis[[tert-butyl(diphenyl)silyl]oxy]-4-(2-hydroxyethylidene)-3-methylidenecyclohexan-1-ol?
2,6-bis[[tert-butyl(diphenyl)silyl]oxy]-4-(2-hydroxyethylidene)-3-methylidenecyclohexan-1-ol has a molecular weight of 663.02 g/mol, XLogP of 6.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[[tert-butyl(diphenyl)silyl]oxy]-4-(2-hydroxyethylidene)-3-methylidenecyclohexan-1-ol is sourced from PubChem (CID 54396942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).