trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(hydroxymethyl)-4-methylidenecyclohexan-1-ol

C20H42O4Si2 — CID 10787320

IUPACtrans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(hydroxymethyl)-4-methylidenecyclohexan-1-ol
SMILESC=C1[C@H](O[Si](C)(C)C(C)(C)C)CC(O)(CO)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O4Si2/c1-15-16(23-25(8,9)18(2,3)4)12-20(22,14-21)13-17(15)24-26(10,11)19(5,6)7/h16-17,21-22H,1,12-14H2,2-11H3/t16-,17-/m1/s1
InChIKeyOJBDJJUTOXINBG-IAGOWNOFSA-N
MW402.72 g/mol
LogP4.84
Rot. Bonds5

About trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(hydroxymethyl)-4-methylidenecyclohexan-1-ol

trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(hydroxymethyl)-4-methylidenecyclohexan-1-ol (PubChem CID 10787320) has the molecular formula C20H42O4Si2 and a molecular weight of 402.72 g/mol. Its IUPAC name is trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(hydroxymethyl)-4-methylidenecyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(hydroxymethyl)-4-methylidenecyclohexan-1-ol
PubChem CID10787320
Molecular FormulaC20H42O4Si2
Molecular Weight402.72 g/mol
Exact Mass402.26
IUPAC Nametrans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(hydroxymethyl)-4-methylidenecyclohexan-1-ol
SMILESC=C1[C@H](O[Si](C)(C)C(C)(C)C)CC(O)(CO)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O4Si2/c1-15-16(23-25(8,9)18(2,3)4)12-20(22,14-21)13-17(15)24-26(10,11)19(5,6)7/h16-17,21-22H,1,12-14H2,2-11H3/t16-,17-/m1/s1
InChIKeyOJBDJJUTOXINBG-IAGOWNOFSA-N
XLogP4.84
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.72
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(hydroxymethyl)-4-methylidenecyclohexan-1-ol?
The IUPAC name of trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(hydroxymethyl)-4-methylidenecyclohexan-1-ol (CID 10787320) is trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(hydroxymethyl)-4-methylidenecyclohexan-1-ol.
What is the SMILES notation for trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(hydroxymethyl)-4-methylidenecyclohexan-1-ol?
The canonical SMILES for trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(hydroxymethyl)-4-methylidenecyclohexan-1-ol is C=C1[C@H](O[Si](C)(C)C(C)(C)C)CC(O)(CO)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(hydroxymethyl)-4-methylidenecyclohexan-1-ol?
The InChIKey is OJBDJJUTOXINBG-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H42O4Si2/c1-15-16(23-25(8,9)18(2,3)4)12-20(22,14-21)13-17(15)24-26(10,11)19(5,6)7/h16-17,21-22H,1,12-14H2,2-11H3/t16-,17-/m1/s1.
What are the key properties of trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(hydroxymethyl)-4-methylidenecyclohexan-1-ol?
trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(hydroxymethyl)-4-methylidenecyclohexan-1-ol has a molecular weight of 402.72 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(hydroxymethyl)-4-methylidenecyclohexan-1-ol is sourced from PubChem (CID 10787320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).