1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]hexan-1-ol

C17H33BrO2Si — CID 102184981

IUPAC1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]hexan-1-ol
SMILESCCCCCC(O)C1=C(Br)CCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33BrO2Si/c1-7-8-9-10-14(19)16-13(18)11-12-15(16)20-21(5,6)17(2,3)4/h14-15,19H,7-12H2,1-6H3
InChIKeyVMMWJGUNEFJMPS-UHFFFAOYSA-N
MW377.44 g/mol
LogP5.76
Rot. Bonds7

About 1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]hexan-1-ol

1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]hexan-1-ol (PubChem CID 102184981) has the molecular formula C17H33BrO2Si and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]hexan-1-ol.

Molecular Properties

Compound Name1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]hexan-1-ol
PubChem CID102184981
Molecular FormulaC17H33BrO2Si
Molecular Weight377.44 g/mol
Exact Mass376.14
IUPAC Name1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]hexan-1-ol
SMILESCCCCCC(O)C1=C(Br)CCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33BrO2Si/c1-7-8-9-10-14(19)16-13(18)11-12-15(16)20-21(5,6)17(2,3)4/h14-15,19H,7-12H2,1-6H3
InChIKeyVMMWJGUNEFJMPS-UHFFFAOYSA-N
XLogP5.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.44
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'}

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Related Compounds

[5-[Tert-butyl(dimethyl)silyl]oxy-2-methylcyclopenten-1-yl]methanol
CID 11118241
4-[Tert-butyl(dimethyl)silyl]oxy-3-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-ol
CID 13216823
(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-ol
CID 13216824
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-ol
CID 70532058
(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-ol
CID 70536701
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-2-en-1-ol
CID 10243472
(3Z,5R,7R,8E)-4-bromo-8-[tri(propan-2-yl)silyloxymethyl]undeca-3,8-diene-5,7-diol
CID 11465079
1-[5-[Tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyethyl)cyclopenten-1-yl]propan-1-ol
CID 11594599
1-[2-Bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propan-1-ol
CID 11709779
1-[2-Bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]ethanol
CID 102184980
1-[2-Bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]cyclopentan-1-ol
CID 102184982
1-[3-[Tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyethyl)cyclopenten-1-yl]ethanol
CID 102184988

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]hexan-1-ol?
The IUPAC name of 1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]hexan-1-ol (CID 102184981) is 1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]hexan-1-ol.
What is the SMILES notation for 1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]hexan-1-ol?
The canonical SMILES for 1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]hexan-1-ol is CCCCCC(O)C1=C(Br)CCC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]hexan-1-ol?
The InChIKey is VMMWJGUNEFJMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33BrO2Si/c1-7-8-9-10-14(19)16-13(18)11-12-15(16)20-21(5,6)17(2,3)4/h14-15,19H,7-12H2,1-6H3.
What are the key properties of 1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]hexan-1-ol?
1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]hexan-1-ol has a molecular weight of 377.44 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]hexan-1-ol is sourced from PubChem (CID 102184981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).