7-oxaspiro[3.5]nonan-3-ol

C8H14O2 — CID 71744024

IUPAC7-oxaspiro[3.5]nonan-3-ol
SMILESOC1CCC12CCOCC2
InChIInChI=1S/C8H14O2/c9-7-1-2-8(7)3-5-10-6-4-8/h7,9H,1-6H2
InChIKeyKFDVBQPCFNZKAS-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.94
Rot. Bonds

About 7-oxaspiro[3.5]nonan-3-ol

7-oxaspiro[3.5]nonan-3-ol (PubChem CID 71744024) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 7-oxaspiro[3.5]nonan-3-ol.

Molecular Properties

Compound Name7-oxaspiro[3.5]nonan-3-ol
PubChem CID71744024
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name7-oxaspiro[3.5]nonan-3-ol
SMILESOC1CCC12CCOCC2
InChIInChI=1S/C8H14O2/c9-7-1-2-8(7)3-5-10-6-4-8/h7,9H,1-6H2
InChIKeyKFDVBQPCFNZKAS-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 7-oxaspiro[3.5]nonan-3-ol?
The IUPAC name of 7-oxaspiro[3.5]nonan-3-ol (CID 71744024) is 7-oxaspiro[3.5]nonan-3-ol.
What is the SMILES notation for 7-oxaspiro[3.5]nonan-3-ol?
The canonical SMILES for 7-oxaspiro[3.5]nonan-3-ol is OC1CCC12CCOCC2.
What is the InChIKey of 7-oxaspiro[3.5]nonan-3-ol?
The InChIKey is KFDVBQPCFNZKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c9-7-1-2-8(7)3-5-10-6-4-8/h7,9H,1-6H2.
What are the key properties of 7-oxaspiro[3.5]nonan-3-ol?
7-oxaspiro[3.5]nonan-3-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 7-oxaspiro[3.5]nonan-3-ol is sourced from PubChem (CID 71744024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).