3-butyl-1-oxaspiro[3.5]non-2-en-2-ol

C12H20O2 — CID 164670519

IUPAC3-butyl-1-oxaspiro[3.5]non-2-en-2-ol
SMILESCCCCC1=C(O)OC12CCCCC2
InChIInChI=1S/C12H20O2/c1-2-3-7-10-11(13)14-12(10)8-5-4-6-9-12/h13H,2-9H2,1H3
InChIKeyMRHOSIMBQYMGDW-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.68
Rot. Bonds3

About 3-butyl-1-oxaspiro[3.5]non-2-en-2-ol

3-butyl-1-oxaspiro[3.5]non-2-en-2-ol (PubChem CID 164670519) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-butyl-1-oxaspiro[3.5]non-2-en-2-ol.

Molecular Properties

Compound Name3-butyl-1-oxaspiro[3.5]non-2-en-2-ol
PubChem CID164670519
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name3-butyl-1-oxaspiro[3.5]non-2-en-2-ol
SMILESCCCCC1=C(O)OC12CCCCC2
InChIInChI=1S/C12H20O2/c1-2-3-7-10-11(13)14-12(10)8-5-4-6-9-12/h13H,2-9H2,1H3
InChIKeyMRHOSIMBQYMGDW-UHFFFAOYSA-N
XLogP3.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-oxaspiro[3.5]non-2-en-2-ol?
The IUPAC name of 3-butyl-1-oxaspiro[3.5]non-2-en-2-ol (CID 164670519) is 3-butyl-1-oxaspiro[3.5]non-2-en-2-ol.
What is the SMILES notation for 3-butyl-1-oxaspiro[3.5]non-2-en-2-ol?
The canonical SMILES for 3-butyl-1-oxaspiro[3.5]non-2-en-2-ol is CCCCC1=C(O)OC12CCCCC2.
What is the InChIKey of 3-butyl-1-oxaspiro[3.5]non-2-en-2-ol?
The InChIKey is MRHOSIMBQYMGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-3-7-10-11(13)14-12(10)8-5-4-6-9-12/h13H,2-9H2,1H3.
What are the key properties of 3-butyl-1-oxaspiro[3.5]non-2-en-2-ol?
3-butyl-1-oxaspiro[3.5]non-2-en-2-ol has a molecular weight of 196.29 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-oxaspiro[3.5]non-2-en-2-ol is sourced from PubChem (CID 164670519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).