1-oxaspiro[4.5]decan-6-ol

C9H16O2 — CID 12931507

IUPAC1-oxaspiro[4.5]decan-6-ol
SMILESOC1CCCCC12CCCO2
InChIInChI=1S/C9H16O2/c10-8-4-1-2-5-9(8)6-3-7-11-9/h8,10H,1-7H2
InChIKeyIOEHXNBIKDUUSL-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.47
Rot. Bonds

About 1-oxaspiro[4.5]decan-6-ol

1-oxaspiro[4.5]decan-6-ol (PubChem CID 12931507) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-oxaspiro[4.5]decan-6-ol.

Molecular Properties

Compound Name1-oxaspiro[4.5]decan-6-ol
PubChem CID12931507
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-oxaspiro[4.5]decan-6-ol
SMILESOC1CCCCC12CCCO2
InChIInChI=1S/C9H16O2/c10-8-4-1-2-5-9(8)6-3-7-11-9/h8,10H,1-7H2
InChIKeyIOEHXNBIKDUUSL-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[4.5]decan-6-ol?
The IUPAC name of 1-oxaspiro[4.5]decan-6-ol (CID 12931507) is 1-oxaspiro[4.5]decan-6-ol.
What is the SMILES notation for 1-oxaspiro[4.5]decan-6-ol?
The canonical SMILES for 1-oxaspiro[4.5]decan-6-ol is OC1CCCCC12CCCO2.
What is the InChIKey of 1-oxaspiro[4.5]decan-6-ol?
The InChIKey is IOEHXNBIKDUUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c10-8-4-1-2-5-9(8)6-3-7-11-9/h8,10H,1-7H2.
What are the key properties of 1-oxaspiro[4.5]decan-6-ol?
1-oxaspiro[4.5]decan-6-ol has a molecular weight of 156.22 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[4.5]decan-6-ol is sourced from PubChem (CID 12931507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).