(1R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol

C19H40O3Si2 — CID 10714360

IUPAC(1R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1C=C[C@H](O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O3Si2/c1-18(2,3)23(7,8)21-14-15-11-12-16(20)13-17(15)22-24(9,10)19(4,5)6/h11-12,15-17,20H,13-14H2,1-10H3/t15-,16+,17+/m1/s1
InChIKeyOWOFSMVXUNYERA-IKGGRYGDSA-N
MW372.70 g/mol
LogP5.34
Rot. Bonds5

About (1R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol

(1R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol (PubChem CID 10714360) has the molecular formula C19H40O3Si2 and a molecular weight of 372.70 g/mol. Its IUPAC name is (1R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol
PubChem CID10714360
Molecular FormulaC19H40O3Si2
Molecular Weight372.70 g/mol
Exact Mass372.25
IUPAC Name(1R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1C=C[C@H](O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O3Si2/c1-18(2,3)23(7,8)21-14-15-11-12-16(20)13-17(15)22-24(9,10)19(4,5)6/h11-12,15-17,20H,13-14H2,1-10H3/t15-,16+,17+/m1/s1
InChIKeyOWOFSMVXUNYERA-IKGGRYGDSA-N
XLogP5.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.70
LogP ≤ 55.34
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 (1R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol?
The IUPAC name of (1R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol (CID 10714360) is (1R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol.
What is the SMILES notation for (1R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol?
The canonical SMILES for (1R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol is CC(C)(C)[Si](C)(C)OC[C@H]1C=C[C@H](O)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol?
The InChIKey is OWOFSMVXUNYERA-IKGGRYGDSA-N. The full InChI is InChI=1S/C19H40O3Si2/c1-18(2,3)23(7,8)21-14-15-11-12-16(20)13-17(15)22-24(9,10)19(4,5)6/h11-12,15-17,20H,13-14H2,1-10H3/t15-,16+,17+/m1/s1.
What are the key properties of (1R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol?
(1R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol has a molecular weight of 372.70 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 10714360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).