8-oxaspiro[4.5]decan-4-ol

C9H16O2 — CID 91663004

IUPAC8-oxaspiro[4.5]decan-4-ol
SMILESOC1CCCC12CCOCC2
InChIInChI=1S/C9H16O2/c10-8-2-1-3-9(8)4-6-11-7-5-9/h8,10H,1-7H2
InChIKeyPKRSRKPEWPHSTA-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.33
Rot. Bonds

About 8-oxaspiro[4.5]decan-4-ol

8-oxaspiro[4.5]decan-4-ol (PubChem CID 91663004) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 8-oxaspiro[4.5]decan-4-ol.

Molecular Properties

Compound Name8-oxaspiro[4.5]decan-4-ol
PubChem CID91663004
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name8-oxaspiro[4.5]decan-4-ol
SMILESOC1CCCC12CCOCC2
InChIInChI=1S/C9H16O2/c10-8-2-1-3-9(8)4-6-11-7-5-9/h8,10H,1-7H2
InChIKeyPKRSRKPEWPHSTA-UHFFFAOYSA-N
XLogP1.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-oxaspiro[4.5]decan-4-ol?
The IUPAC name of 8-oxaspiro[4.5]decan-4-ol (CID 91663004) is 8-oxaspiro[4.5]decan-4-ol.
What is the SMILES notation for 8-oxaspiro[4.5]decan-4-ol?
The canonical SMILES for 8-oxaspiro[4.5]decan-4-ol is OC1CCCC12CCOCC2.
What is the InChIKey of 8-oxaspiro[4.5]decan-4-ol?
The InChIKey is PKRSRKPEWPHSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c10-8-2-1-3-9(8)4-6-11-7-5-9/h8,10H,1-7H2.
What are the key properties of 8-oxaspiro[4.5]decan-4-ol?
8-oxaspiro[4.5]decan-4-ol has a molecular weight of 156.22 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxaspiro[4.5]decan-4-ol is sourced from PubChem (CID 91663004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).