2-oxaspiro[3.4]octan-5-ol

C7H12O2 — CID 178199967

IUPAC2-oxaspiro[3.4]octan-5-ol
SMILESOC1CCCC12COC2
InChIInChI=1S/C7H12O2/c8-6-2-1-3-7(6)4-9-5-7/h6,8H,1-5H2
InChIKeyJBVMRTLJXHASNW-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.55
Rot. Bonds

About 2-oxaspiro[3.4]octan-5-ol

2-oxaspiro[3.4]octan-5-ol (PubChem CID 178199967) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-oxaspiro[3.4]octan-5-ol.

Molecular Properties

Compound Name2-oxaspiro[3.4]octan-5-ol
PubChem CID178199967
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-oxaspiro[3.4]octan-5-ol
SMILESOC1CCCC12COC2
InChIInChI=1S/C7H12O2/c8-6-2-1-3-7(6)4-9-5-7/h6,8H,1-5H2
InChIKeyJBVMRTLJXHASNW-UHFFFAOYSA-N
XLogP0.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxaspiro[3.4]octan-5-ol?
The IUPAC name of 2-oxaspiro[3.4]octan-5-ol (CID 178199967) is 2-oxaspiro[3.4]octan-5-ol.
What is the SMILES notation for 2-oxaspiro[3.4]octan-5-ol?
The canonical SMILES for 2-oxaspiro[3.4]octan-5-ol is OC1CCCC12COC2.
What is the InChIKey of 2-oxaspiro[3.4]octan-5-ol?
The InChIKey is JBVMRTLJXHASNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c8-6-2-1-3-7(6)4-9-5-7/h6,8H,1-5H2.
What are the key properties of 2-oxaspiro[3.4]octan-5-ol?
2-oxaspiro[3.4]octan-5-ol has a molecular weight of 128.17 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxaspiro[3.4]octan-5-ol is sourced from PubChem (CID 178199967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).