[3-(bromomethyl)cyclopent-3-en-1-yl]-[tert-butyl(dimethyl)silyl]methanol

C13H25BrOSi — CID 57009209

IUPAC[3-(bromomethyl)cyclopent-3-en-1-yl]-[tert-butyl(dimethyl)silyl]methanol
SMILESCC(C)(C)[Si](C)(C)C(O)C1CC=C(CBr)C1
InChIInChI=1S/C13H25BrOSi/c1-13(2,3)16(4,5)12(15)11-7-6-10(8-11)9-14/h6,11-12,15H,7-9H2,1-5H3
InChIKeyAREHOEOVAOTZDV-UHFFFAOYSA-N
MW305.33 g/mol
LogP4.13
Rot. Bonds3

About [3-(bromomethyl)cyclopent-3-en-1-yl]-[tert-butyl(dimethyl)silyl]methanol

[3-(bromomethyl)cyclopent-3-en-1-yl]-[tert-butyl(dimethyl)silyl]methanol (PubChem CID 57009209) has the molecular formula C13H25BrOSi and a molecular weight of 305.33 g/mol. Its IUPAC name is [3-(bromomethyl)cyclopent-3-en-1-yl]-[tert-butyl(dimethyl)silyl]methanol.

Molecular Properties

Compound Name[3-(bromomethyl)cyclopent-3-en-1-yl]-[tert-butyl(dimethyl)silyl]methanol
PubChem CID57009209
Molecular FormulaC13H25BrOSi
Molecular Weight305.33 g/mol
Exact Mass304.09
IUPAC Name[3-(bromomethyl)cyclopent-3-en-1-yl]-[tert-butyl(dimethyl)silyl]methanol
SMILESCC(C)(C)[Si](C)(C)C(O)C1CC=C(CBr)C1
InChIInChI=1S/C13H25BrOSi/c1-13(2,3)16(4,5)12(15)11-7-6-10(8-11)9-14/h6,11-12,15H,7-9H2,1-5H3
InChIKeyAREHOEOVAOTZDV-UHFFFAOYSA-N
XLogP4.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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 [3-(bromomethyl)cyclopent-3-en-1-yl]-[tert-butyl(dimethyl)silyl]methanol?
The IUPAC name of [3-(bromomethyl)cyclopent-3-en-1-yl]-[tert-butyl(dimethyl)silyl]methanol (CID 57009209) is [3-(bromomethyl)cyclopent-3-en-1-yl]-[tert-butyl(dimethyl)silyl]methanol.
What is the SMILES notation for [3-(bromomethyl)cyclopent-3-en-1-yl]-[tert-butyl(dimethyl)silyl]methanol?
The canonical SMILES for [3-(bromomethyl)cyclopent-3-en-1-yl]-[tert-butyl(dimethyl)silyl]methanol is CC(C)(C)[Si](C)(C)C(O)C1CC=C(CBr)C1.
What is the InChIKey of [3-(bromomethyl)cyclopent-3-en-1-yl]-[tert-butyl(dimethyl)silyl]methanol?
The InChIKey is AREHOEOVAOTZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrOSi/c1-13(2,3)16(4,5)12(15)11-7-6-10(8-11)9-14/h6,11-12,15H,7-9H2,1-5H3.
What are the key properties of [3-(bromomethyl)cyclopent-3-en-1-yl]-[tert-butyl(dimethyl)silyl]methanol?
[3-(bromomethyl)cyclopent-3-en-1-yl]-[tert-butyl(dimethyl)silyl]methanol has a molecular weight of 305.33 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(bromomethyl)cyclopent-3-en-1-yl]-[tert-butyl(dimethyl)silyl]methanol is sourced from PubChem (CID 57009209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).