[6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclohepta-1,3,5-trien-1-yl]methanol

C20H36O2Si — CID 134853146

IUPAC[6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclohepta-1,3,5-trien-1-yl]methanol
SMILESCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)C1=CC=CC=C(CO)C1
InChIInChI=1S/C20H36O2Si/c1-7-8-9-14-19(22-23(5,6)20(2,3)4)18-13-11-10-12-17(15-18)16-21/h10-13,19,21H,7-9,14-16H2,1-6H3/t19-/m1/s1
InChIKeyPZXXETCQICVNBJ-LJQANCHMSA-N
MW336.59 g/mol
LogP5.76
Rot. Bonds8

About [6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclohepta-1,3,5-trien-1-yl]methanol

[6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclohepta-1,3,5-trien-1-yl]methanol (PubChem CID 134853146) has the molecular formula C20H36O2Si and a molecular weight of 336.59 g/mol. Its IUPAC name is [6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclohepta-1,3,5-trien-1-yl]methanol.

Molecular Properties

Compound Name[6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclohepta-1,3,5-trien-1-yl]methanol
PubChem CID134853146
Molecular FormulaC20H36O2Si
Molecular Weight336.59 g/mol
Exact Mass336.25
IUPAC Name[6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclohepta-1,3,5-trien-1-yl]methanol
SMILESCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)C1=CC=CC=C(CO)C1
InChIInChI=1S/C20H36O2Si/c1-7-8-9-14-19(22-23(5,6)20(2,3)4)18-13-11-10-12-17(15-18)16-21/h10-13,19,21H,7-9,14-16H2,1-6H3/t19-/m1/s1
InChIKeyPZXXETCQICVNBJ-LJQANCHMSA-N
XLogP5.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.59
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclohepta-1,3,5-trien-1-yl]methanol with MolForge

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Related Compounds

(1E)-1-[(2E)-2-hexylidenecyclohexylidene]-1-trimethylsilyldecan-2-ol
CID 10739293
(1S,4R)-6-[tert-butyl(dimethyl)silyl]oxycyclohept-2-ene-1,4-diol
CID 11021568
(4Z,6Z)-4-hexyl-6-[iodo(trimethylsilyl)methylidene]dodeca-1,4-dien-3-ol
CID 11167454
5-[Tert-butyl(dimethyl)silyl]oxy-1-(cyclohepten-1-yl)pentan-1-ol
CID 24795825
(3E)-1-[tert-butyl(dimethyl)silyl]oxy-3-hexylnona-3,8-dien-2-ol
CID 101365455
(E,5S,9R)-5-[tert-butyl(dimethyl)silyl]oxydodec-6-ene-1,9-diol
CID 134837176
(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-2-en-1-ol
CID 134846881
(2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dien-1-ol
CID 134858684
(3E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,3-dien-5-ol
CID 134979330
(3E,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethylnona-1,3-dien-5-ol
CID 134979331
(Z)-10-[tert-butyl(dimethyl)silyl]oxydec-2-en-1-ol
CID 134995128
(1S,4S)-4-triethylsilyloxycyclohept-2-en-1-ol
CID 135042426

Frequently Asked Questions

What is the IUPAC name of [6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclohepta-1,3,5-trien-1-yl]methanol?
The IUPAC name of [6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclohepta-1,3,5-trien-1-yl]methanol (CID 134853146) is [6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclohepta-1,3,5-trien-1-yl]methanol.
What is the SMILES notation for [6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclohepta-1,3,5-trien-1-yl]methanol?
The canonical SMILES for [6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclohepta-1,3,5-trien-1-yl]methanol is CCCCC[C@@H](O[Si](C)(C)C(C)(C)C)C1=CC=CC=C(CO)C1.
What is the InChIKey of [6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclohepta-1,3,5-trien-1-yl]methanol?
The InChIKey is PZXXETCQICVNBJ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H36O2Si/c1-7-8-9-14-19(22-23(5,6)20(2,3)4)18-13-11-10-12-17(15-18)16-21/h10-13,19,21H,7-9,14-16H2,1-6H3/t19-/m1/s1.
What are the key properties of [6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclohepta-1,3,5-trien-1-yl]methanol?
[6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclohepta-1,3,5-trien-1-yl]methanol has a molecular weight of 336.59 g/mol, XLogP of 5.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclohepta-1,3,5-trien-1-yl]methanol is sourced from PubChem (CID 134853146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).