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

C19H40O3Si2 — CID 10248733

IUPACtrans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexan-1-ol
SMILESC=C1[C@H](O[Si](C)(C)C(C)(C)C)CC(O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O3Si2/c1-14-16(21-23(8,9)18(2,3)4)12-15(20)13-17(14)22-24(10,11)19(5,6)7/h15-17,20H,1,12-13H2,2-11H3/t16-,17-/m1/s1
InChIKeyONBKNVFNXKTBBJ-IAGOWNOFSA-N
MW372.70 g/mol
LogP5.48
Rot. Bonds4

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

trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexan-1-ol (PubChem CID 10248733) has the molecular formula C19H40O3Si2 and a molecular weight of 372.70 g/mol. Its IUPAC name is trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexan-1-ol
PubChem CID10248733
Molecular FormulaC19H40O3Si2
Molecular Weight372.70 g/mol
Exact Mass372.25
IUPAC Nametrans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexan-1-ol
SMILESC=C1[C@H](O[Si](C)(C)C(C)(C)C)CC(O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O3Si2/c1-14-16(21-23(8,9)18(2,3)4)12-15(20)13-17(14)22-24(10,11)19(5,6)7/h15-17,20H,1,12-13H2,2-11H3/t16-,17-/m1/s1
InChIKeyONBKNVFNXKTBBJ-IAGOWNOFSA-N
XLogP5.48
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexan-1-ol?
The IUPAC name of trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexan-1-ol (CID 10248733) is trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexan-1-ol.
What is the SMILES notation for trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexan-1-ol?
The canonical SMILES for trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexan-1-ol is C=C1[C@H](O[Si](C)(C)C(C)(C)C)CC(O)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]-4-methylidenecyclohexan-1-ol?
The InChIKey is ONBKNVFNXKTBBJ-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H40O3Si2/c1-14-16(21-23(8,9)18(2,3)4)12-15(20)13-17(14)22-24(10,11)19(5,6)7/h15-17,20H,1,12-13H2,2-11H3/t16-,17-/m1/s1.
What are the key properties of trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexan-1-ol?
trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexan-1-ol has a molecular weight of 372.70 g/mol, XLogP of 5.48, 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]oxy]-4-methylidenecyclohexan-1-ol is sourced from PubChem (CID 10248733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).