acetic acid;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol

C15H30O4Si — CID 67853974

IUPACacetic acid;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol
SMILESCC(=O)O.CC(C)(C)[Si](C)(C)OCCC1C=CCC1O
InChIInChI=1S/C13H26O2Si.C2H4O2/c1-13(2,3)16(4,5)15-10-9-11-7-6-8-12(11)14;1-2(3)4/h6-7,11-12,14H,8-10H2,1-5H3;1H3,(H,3,4)
InChIKeyVBNZKSYLPUWBQV-UHFFFAOYSA-N
MW302.49 g/mol
LogP3.43
Rot. Bonds4

About acetic acid;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol

acetic acid;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol (PubChem CID 67853974) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is acetic acid;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol.

Molecular Properties

Compound Nameacetic acid;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol
PubChem CID67853974
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Nameacetic acid;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol
SMILESCC(=O)O.CC(C)(C)[Si](C)(C)OCCC1C=CCC1O
InChIInChI=1S/C13H26O2Si.C2H4O2/c1-13(2,3)16(4,5)15-10-9-11-7-6-8-12(11)14;1-2(3)4/h6-7,11-12,14H,8-10H2,1-5H3;1H3,(H,3,4)
InChIKeyVBNZKSYLPUWBQV-UHFFFAOYSA-N
XLogP3.43
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 acetic acid;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol?
The IUPAC name of acetic acid;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol (CID 67853974) is acetic acid;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol.
What is the SMILES notation for acetic acid;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol?
The canonical SMILES for acetic acid;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol is CC(=O)O.CC(C)(C)[Si](C)(C)OCCC1C=CCC1O.
What is the InChIKey of acetic acid;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol?
The InChIKey is VBNZKSYLPUWBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si.C2H4O2/c1-13(2,3)16(4,5)15-10-9-11-7-6-8-12(11)14;1-2(3)4/h6-7,11-12,14H,8-10H2,1-5H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol?
acetic acid;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol has a molecular weight of 302.49 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol is sourced from PubChem (CID 67853974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).