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

C18H38O3Si2 — CID 11696163

IUPAC(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H](O)C=C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O3Si2/c1-17(2,3)22(7,8)20-15-12-11-14(19)13-16(15)21-23(9,10)18(4,5)6/h11-12,14-16,19H,13H2,1-10H3/t14-,15-,16+/m1/s1
InChIKeyIFPBKGLAFSATOA-OAGGEKHMSA-N
MW358.67 g/mol
LogP5.09
Rot. Bonds4

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

(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol (PubChem CID 11696163) has the molecular formula C18H38O3Si2 and a molecular weight of 358.67 g/mol. Its IUPAC name is (1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
PubChem CID11696163
Molecular FormulaC18H38O3Si2
Molecular Weight358.67 g/mol
Exact Mass358.24
IUPAC Name(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H](O)C=C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O3Si2/c1-17(2,3)22(7,8)20-15-12-11-14(19)13-16(15)21-23(9,10)18(4,5)6/h11-12,14-16,19H,13H2,1-10H3/t14-,15-,16+/m1/s1
InChIKeyIFPBKGLAFSATOA-OAGGEKHMSA-N
XLogP5.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.67
LogP ≤ 55.09
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 (1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol?
The IUPAC name of (1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol (CID 11696163) is (1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol.
What is the SMILES notation for (1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol?
The canonical SMILES for (1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol is CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](O)C=C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol?
The InChIKey is IFPBKGLAFSATOA-OAGGEKHMSA-N. The full InChI is InChI=1S/C18H38O3Si2/c1-17(2,3)22(7,8)20-15-12-11-14(19)13-16(15)21-23(9,10)18(4,5)6/h11-12,14-16,19H,13H2,1-10H3/t14-,15-,16+/m1/s1.
What are the key properties of (1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol?
(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol has a molecular weight of 358.67 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol is sourced from PubChem (CID 11696163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).