1-[(1E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,4-dienyl]cyclohexan-1-ol

C17H32O2Si — CID 11208694

IUPAC1-[(1E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,4-dienyl]cyclohexan-1-ol
SMILESCC(C)(C)[Si](C)(C)O/C=C/C/C=C/C1(O)CCCCC1
InChIInChI=1S/C17H32O2Si/c1-16(2,3)20(4,5)19-15-11-7-10-14-17(18)12-8-6-9-13-17/h10-11,14-15,18H,6-9,12-13H2,1-5H3/b14-10+,15-11+
InChIKeyRGRMRGQZLAEATF-WFYKWJGLSA-N
MW296.53 g/mol
LogP5.16
Rot. Bonds5

About 1-[(1E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,4-dienyl]cyclohexan-1-ol

1-[(1E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,4-dienyl]cyclohexan-1-ol (PubChem CID 11208694) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is 1-[(1E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,4-dienyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,4-dienyl]cyclohexan-1-ol
PubChem CID11208694
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name1-[(1E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,4-dienyl]cyclohexan-1-ol
SMILESCC(C)(C)[Si](C)(C)O/C=C/C/C=C/C1(O)CCCCC1
InChIInChI=1S/C17H32O2Si/c1-16(2,3)20(4,5)19-15-11-7-10-14-17(18)12-8-6-9-13-17/h10-11,14-15,18H,6-9,12-13H2,1-5H3/b14-10+,15-11+
InChIKeyRGRMRGQZLAEATF-WFYKWJGLSA-N
XLogP5.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.53
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 1-[(1E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,4-dienyl]cyclohexan-1-ol?
The IUPAC name of 1-[(1E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,4-dienyl]cyclohexan-1-ol (CID 11208694) is 1-[(1E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,4-dienyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(1E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,4-dienyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(1E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,4-dienyl]cyclohexan-1-ol is CC(C)(C)[Si](C)(C)O/C=C/C/C=C/C1(O)CCCCC1.
What is the InChIKey of 1-[(1E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,4-dienyl]cyclohexan-1-ol?
The InChIKey is RGRMRGQZLAEATF-WFYKWJGLSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-16(2,3)20(4,5)19-15-11-7-10-14-17(18)12-8-6-9-13-17/h10-11,14-15,18H,6-9,12-13H2,1-5H3/b14-10+,15-11+.
What are the key properties of 1-[(1E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,4-dienyl]cyclohexan-1-ol?
1-[(1E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,4-dienyl]cyclohexan-1-ol has a molecular weight of 296.53 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,4-dienyl]cyclohexan-1-ol is sourced from PubChem (CID 11208694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).