3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol

C15H30O2Si — CID 54471676

IUPAC3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
SMILESCCCCC1=CC(O)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-7-8-9-12-10-13(16)11-14(12)17-18(5,6)15(2,3)4/h10,13-14,16H,7-9,11H2,1-6H3
InChIKeyXIUGJHNCYKMACK-UHFFFAOYSA-N
MW270.49 g/mol
LogP4.26
Rot. Bonds5

About 3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol

3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol (PubChem CID 54471676) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is 3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol.

Molecular Properties

Compound Name3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
PubChem CID54471676
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
SMILESCCCCC1=CC(O)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-7-8-9-12-10-13(16)11-14(12)17-18(5,6)15(2,3)4/h10,13-14,16H,7-9,11H2,1-6H3
InChIKeyXIUGJHNCYKMACK-UHFFFAOYSA-N
XLogP4.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol?
The IUPAC name of 3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol (CID 54471676) is 3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol.
What is the SMILES notation for 3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol?
The canonical SMILES for 3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol is CCCCC1=CC(O)CC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol?
The InChIKey is XIUGJHNCYKMACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-7-8-9-12-10-13(16)11-14(12)17-18(5,6)15(2,3)4/h10,13-14,16H,7-9,11H2,1-6H3.
What are the key properties of 3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol?
3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol has a molecular weight of 270.49 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol is sourced from PubChem (CID 54471676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).