trans-(3R,5R)-3,5-bis[tert-butyl(dimethyl)silyl]-1-(oxan-2-yloxy)cyclohexan-1-ol

C23H48O3Si2 — CID 90770166

IUPACtrans-(3R,5R)-3,5-bis[tert-butyl(dimethyl)silyl]-1-(oxan-2-yloxy)cyclohexan-1-ol
SMILESCC(C)(C)[Si](C)(C)[C@H]1C[C@H]([Si](C)(C)C(C)(C)C)CC(O)(OC2CCCCO2)C1
InChIInChI=1S/C23H48O3Si2/c1-21(2,3)27(7,8)18-15-19(28(9,10)22(4,5)6)17-23(24,16-18)26-20-13-11-12-14-25-20/h18-20,24H,11-17H2,1-10H3/t18-,19-,20?/m0/s1
InChIKeyFFRWCDXNZIZFGF-NFBCFJMWSA-N
MW428.81 g/mol
LogP7.16
Rot. Bonds4

About trans-(3R,5R)-3,5-bis[tert-butyl(dimethyl)silyl]-1-(oxan-2-yloxy)cyclohexan-1-ol

trans-(3R,5R)-3,5-bis[tert-butyl(dimethyl)silyl]-1-(oxan-2-yloxy)cyclohexan-1-ol (PubChem CID 90770166) has the molecular formula C23H48O3Si2 and a molecular weight of 428.81 g/mol. Its IUPAC name is trans-(3R,5R)-3,5-bis[tert-butyl(dimethyl)silyl]-1-(oxan-2-yloxy)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(3R,5R)-3,5-bis[tert-butyl(dimethyl)silyl]-1-(oxan-2-yloxy)cyclohexan-1-ol
PubChem CID90770166
Molecular FormulaC23H48O3Si2
Molecular Weight428.81 g/mol
Exact Mass428.31
IUPAC Nametrans-(3R,5R)-3,5-bis[tert-butyl(dimethyl)silyl]-1-(oxan-2-yloxy)cyclohexan-1-ol
SMILESCC(C)(C)[Si](C)(C)[C@H]1C[C@H]([Si](C)(C)C(C)(C)C)CC(O)(OC2CCCCO2)C1
InChIInChI=1S/C23H48O3Si2/c1-21(2,3)27(7,8)18-15-19(28(9,10)22(4,5)6)17-23(24,16-18)26-20-13-11-12-14-25-20/h18-20,24H,11-17H2,1-10H3/t18-,19-,20?/m0/s1
InChIKeyFFRWCDXNZIZFGF-NFBCFJMWSA-N
XLogP7.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.81
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze trans-(3R,5R)-3,5-bis[tert-butyl(dimethyl)silyl]-1-(oxan-2-yloxy)cyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-cyclopentyl-dimethylsilane
CID 58570155
2-[2-(oxan-2-yloxy)propan-2-yloxy]oxane
CID 18680583
methyl 1-(oxan-2-yloxy)cyclobutane-1-carboxylate
CID 169100738
tert-butyl-[4-[tert-butyl(dimethyl)silyl]cyclohexyl]-dimethylsilane
CID 101272528
2-methoxyoxepane
CID 24974084
oxan-2-yl 2,2-dimethylpropanoate
CID 10679121
(2,6-dimethylcyclohexyl) oxan-2-yl carbonate
CID 173476655
1-(oxan-2-yloxymethyl)cyclobutan-1-ol
CID 175776398
tert-butyl 1-(oxan-2-yloxymethyl)cyclopropane-1-carboxylate
CID 143065428
1-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine
CID 70625745
cyclohexyl-[1-(oxan-2-yloxy)cyclopropyl]methanol
CID 134894631
2-methoxy-6-methyl-6-[6-methyl-6-(oxonan-2-yloxy)oxecan-2-yl]oxyoxecane
CID 123438419

Frequently Asked Questions

What is the IUPAC name of trans-(3R,5R)-3,5-bis[tert-butyl(dimethyl)silyl]-1-(oxan-2-yloxy)cyclohexan-1-ol?
The IUPAC name of trans-(3R,5R)-3,5-bis[tert-butyl(dimethyl)silyl]-1-(oxan-2-yloxy)cyclohexan-1-ol (CID 90770166) is trans-(3R,5R)-3,5-bis[tert-butyl(dimethyl)silyl]-1-(oxan-2-yloxy)cyclohexan-1-ol.
What is the SMILES notation for trans-(3R,5R)-3,5-bis[tert-butyl(dimethyl)silyl]-1-(oxan-2-yloxy)cyclohexan-1-ol?
The canonical SMILES for trans-(3R,5R)-3,5-bis[tert-butyl(dimethyl)silyl]-1-(oxan-2-yloxy)cyclohexan-1-ol is CC(C)(C)[Si](C)(C)[C@H]1C[C@H]([Si](C)(C)C(C)(C)C)CC(O)(OC2CCCCO2)C1.
What is the InChIKey of trans-(3R,5R)-3,5-bis[tert-butyl(dimethyl)silyl]-1-(oxan-2-yloxy)cyclohexan-1-ol?
The InChIKey is FFRWCDXNZIZFGF-NFBCFJMWSA-N. The full InChI is InChI=1S/C23H48O3Si2/c1-21(2,3)27(7,8)18-15-19(28(9,10)22(4,5)6)17-23(24,16-18)26-20-13-11-12-14-25-20/h18-20,24H,11-17H2,1-10H3/t18-,19-,20?/m0/s1.
What are the key properties of trans-(3R,5R)-3,5-bis[tert-butyl(dimethyl)silyl]-1-(oxan-2-yloxy)cyclohexan-1-ol?
trans-(3R,5R)-3,5-bis[tert-butyl(dimethyl)silyl]-1-(oxan-2-yloxy)cyclohexan-1-ol has a molecular weight of 428.81 g/mol, XLogP of 7.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(3R,5R)-3,5-bis[tert-butyl(dimethyl)silyl]-1-(oxan-2-yloxy)cyclohexan-1-ol is sourced from PubChem (CID 90770166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).