1-(2-trimethylsilyl-1-oxaspiro[2.5]octan-2-yl)butan-1-ol

C14H28O2Si — CID 14433639

IUPAC1-(2-trimethylsilyl-1-oxaspiro[2.5]octan-2-yl)butan-1-ol
SMILESCCCC(O)C1([Si](C)(C)C)OC12CCCCC2
InChIInChI=1S/C14H28O2Si/c1-5-9-12(15)14(17(2,3)4)13(16-14)10-7-6-8-11-13/h12,15H,5-11H2,1-4H3
InChIKeyCBCHYRMGLZUPGV-UHFFFAOYSA-N
MW256.46 g/mol
LogP3.50
Rot. Bonds4

About 1-(2-trimethylsilyl-1-oxaspiro[2.5]octan-2-yl)butan-1-ol

1-(2-trimethylsilyl-1-oxaspiro[2.5]octan-2-yl)butan-1-ol (PubChem CID 14433639) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 1-(2-trimethylsilyl-1-oxaspiro[2.5]octan-2-yl)butan-1-ol.

Molecular Properties

Compound Name1-(2-trimethylsilyl-1-oxaspiro[2.5]octan-2-yl)butan-1-ol
PubChem CID14433639
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name1-(2-trimethylsilyl-1-oxaspiro[2.5]octan-2-yl)butan-1-ol
SMILESCCCC(O)C1([Si](C)(C)C)OC12CCCCC2
InChIInChI=1S/C14H28O2Si/c1-5-9-12(15)14(17(2,3)4)13(16-14)10-7-6-8-11-13/h12,15H,5-11H2,1-4H3
InChIKeyCBCHYRMGLZUPGV-UHFFFAOYSA-N
XLogP3.50
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-trimethylsilyl-1-oxaspiro[2.5]octan-2-yl)butan-1-ol?
The IUPAC name of 1-(2-trimethylsilyl-1-oxaspiro[2.5]octan-2-yl)butan-1-ol (CID 14433639) is 1-(2-trimethylsilyl-1-oxaspiro[2.5]octan-2-yl)butan-1-ol.
What is the SMILES notation for 1-(2-trimethylsilyl-1-oxaspiro[2.5]octan-2-yl)butan-1-ol?
The canonical SMILES for 1-(2-trimethylsilyl-1-oxaspiro[2.5]octan-2-yl)butan-1-ol is CCCC(O)C1([Si](C)(C)C)OC12CCCCC2.
What is the InChIKey of 1-(2-trimethylsilyl-1-oxaspiro[2.5]octan-2-yl)butan-1-ol?
The InChIKey is CBCHYRMGLZUPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-5-9-12(15)14(17(2,3)4)13(16-14)10-7-6-8-11-13/h12,15H,5-11H2,1-4H3.
What are the key properties of 1-(2-trimethylsilyl-1-oxaspiro[2.5]octan-2-yl)butan-1-ol?
1-(2-trimethylsilyl-1-oxaspiro[2.5]octan-2-yl)butan-1-ol has a molecular weight of 256.46 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-trimethylsilyl-1-oxaspiro[2.5]octan-2-yl)butan-1-ol is sourced from PubChem (CID 14433639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).