1-[2-bromo-5-(2-trimethylsilylethoxymethoxy)cyclopenten-1-yl]propan-1-ol

C14H27BrO3Si — CID 10904265

IUPAC1-[2-bromo-5-(2-trimethylsilylethoxymethoxy)cyclopenten-1-yl]propan-1-ol
SMILESCCC(O)C1=C(Br)CCC1OCOCC[Si](C)(C)C
InChIInChI=1S/C14H27BrO3Si/c1-5-12(16)14-11(15)6-7-13(14)18-10-17-8-9-19(2,3)4/h12-13,16H,5-10H2,1-4H3
InChIKeyPIIVDHJOTZZJDZ-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.90
Rot. Bonds8

About 1-[2-bromo-5-(2-trimethylsilylethoxymethoxy)cyclopenten-1-yl]propan-1-ol

1-[2-bromo-5-(2-trimethylsilylethoxymethoxy)cyclopenten-1-yl]propan-1-ol (PubChem CID 10904265) has the molecular formula C14H27BrO3Si and a molecular weight of 351.36 g/mol. Its IUPAC name is 1-[2-bromo-5-(2-trimethylsilylethoxymethoxy)cyclopenten-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-[2-bromo-5-(2-trimethylsilylethoxymethoxy)cyclopenten-1-yl]propan-1-ol
PubChem CID10904265
Molecular FormulaC14H27BrO3Si
Molecular Weight351.36 g/mol
Exact Mass350.09
IUPAC Name1-[2-bromo-5-(2-trimethylsilylethoxymethoxy)cyclopenten-1-yl]propan-1-ol
SMILESCCC(O)C1=C(Br)CCC1OCOCC[Si](C)(C)C
InChIInChI=1S/C14H27BrO3Si/c1-5-12(16)14-11(15)6-7-13(14)18-10-17-8-9-19(2,3)4/h12-13,16H,5-10H2,1-4H3
InChIKeyPIIVDHJOTZZJDZ-UHFFFAOYSA-N
XLogP3.90
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-Bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propan-1-ol
CID 11709779
1-[2-Bromo-3-(2-trimethylsilylethoxymethoxy)cyclopenten-1-yl]propan-1-ol
CID 11810269

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-5-(2-trimethylsilylethoxymethoxy)cyclopenten-1-yl]propan-1-ol?
The IUPAC name of 1-[2-bromo-5-(2-trimethylsilylethoxymethoxy)cyclopenten-1-yl]propan-1-ol (CID 10904265) is 1-[2-bromo-5-(2-trimethylsilylethoxymethoxy)cyclopenten-1-yl]propan-1-ol.
What is the SMILES notation for 1-[2-bromo-5-(2-trimethylsilylethoxymethoxy)cyclopenten-1-yl]propan-1-ol?
The canonical SMILES for 1-[2-bromo-5-(2-trimethylsilylethoxymethoxy)cyclopenten-1-yl]propan-1-ol is CCC(O)C1=C(Br)CCC1OCOCC[Si](C)(C)C.
What is the InChIKey of 1-[2-bromo-5-(2-trimethylsilylethoxymethoxy)cyclopenten-1-yl]propan-1-ol?
The InChIKey is PIIVDHJOTZZJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BrO3Si/c1-5-12(16)14-11(15)6-7-13(14)18-10-17-8-9-19(2,3)4/h12-13,16H,5-10H2,1-4H3.
What are the key properties of 1-[2-bromo-5-(2-trimethylsilylethoxymethoxy)cyclopenten-1-yl]propan-1-ol?
1-[2-bromo-5-(2-trimethylsilylethoxymethoxy)cyclopenten-1-yl]propan-1-ol has a molecular weight of 351.36 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-5-(2-trimethylsilylethoxymethoxy)cyclopenten-1-yl]propan-1-ol is sourced from PubChem (CID 10904265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).