2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol

C12H23BrO2Si — CID 155745562

IUPAC2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OC1CC=C(Br)C(O)C1
InChIInChI=1S/C12H23BrO2Si/c1-12(2,3)16(4,5)15-9-6-7-10(13)11(14)8-9/h7,9,11,14H,6,8H2,1-5H3
InChIKeyNDPZQTLOCOIRDW-UHFFFAOYSA-N
MW307.30 g/mol
LogP3.81
Rot. Bonds2

About 2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol

2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol (PubChem CID 155745562) has the molecular formula C12H23BrO2Si and a molecular weight of 307.30 g/mol. Its IUPAC name is 2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol.

Molecular Properties

Compound Name2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
PubChem CID155745562
Molecular FormulaC12H23BrO2Si
Molecular Weight307.30 g/mol
Exact Mass306.07
IUPAC Name2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OC1CC=C(Br)C(O)C1
InChIInChI=1S/C12H23BrO2Si/c1-12(2,3)16(4,5)15-9-6-7-10(13)11(14)8-9/h7,9,11,14H,6,8H2,1-5H3
InChIKeyNDPZQTLOCOIRDW-UHFFFAOYSA-N
XLogP3.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol?
The IUPAC name of 2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol (CID 155745562) is 2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol.
What is the SMILES notation for 2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol?
The canonical SMILES for 2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol is CC(C)(C)[Si](C)(C)OC1CC=C(Br)C(O)C1.
What is the InChIKey of 2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol?
The InChIKey is NDPZQTLOCOIRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrO2Si/c1-12(2,3)16(4,5)15-9-6-7-10(13)11(14)8-9/h7,9,11,14H,6,8H2,1-5H3.
What are the key properties of 2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol?
2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol has a molecular weight of 307.30 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol is sourced from PubChem (CID 155745562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).