6-oxaspiro[3.5]nonan-9-ol

C8H14O2 — CID 82417965

IUPAC6-oxaspiro[3.5]nonan-9-ol
SMILESOC1CCOCC12CCC2
InChIInChI=1S/C8H14O2/c9-7-2-5-10-6-8(7)3-1-4-8/h7,9H,1-6H2
InChIKeyXNCBNOYMOPXSJS-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.94
Rot. Bonds

About 6-oxaspiro[3.5]nonan-9-ol

6-oxaspiro[3.5]nonan-9-ol (PubChem CID 82417965) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 6-oxaspiro[3.5]nonan-9-ol.

Molecular Properties

Compound Name6-oxaspiro[3.5]nonan-9-ol
PubChem CID82417965
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name6-oxaspiro[3.5]nonan-9-ol
SMILESOC1CCOCC12CCC2
InChIInChI=1S/C8H14O2/c9-7-2-5-10-6-8(7)3-1-4-8/h7,9H,1-6H2
InChIKeyXNCBNOYMOPXSJS-UHFFFAOYSA-N
XLogP0.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-oxaspiro[3.5]nonan-9-ol?
The IUPAC name of 6-oxaspiro[3.5]nonan-9-ol (CID 82417965) is 6-oxaspiro[3.5]nonan-9-ol.
What is the SMILES notation for 6-oxaspiro[3.5]nonan-9-ol?
The canonical SMILES for 6-oxaspiro[3.5]nonan-9-ol is OC1CCOCC12CCC2.
What is the InChIKey of 6-oxaspiro[3.5]nonan-9-ol?
The InChIKey is XNCBNOYMOPXSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c9-7-2-5-10-6-8(7)3-1-4-8/h7,9H,1-6H2.
What are the key properties of 6-oxaspiro[3.5]nonan-9-ol?
6-oxaspiro[3.5]nonan-9-ol has a molecular weight of 142.20 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxaspiro[3.5]nonan-9-ol is sourced from PubChem (CID 82417965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).