1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol

C13H22O2 — CID 79912854

IUPAC1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
SMILESOC1(C2CCOC3(CCCC3)C2)CCC1
InChIInChI=1S/C13H22O2/c14-13(7-3-8-13)11-4-9-15-12(10-11)5-1-2-6-12/h11,14H,1-10H2
InChIKeySXWOWMNHIKGXLT-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.64
Rot. Bonds1

About 1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol

1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol (PubChem CID 79912854) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
PubChem CID79912854
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
SMILESOC1(C2CCOC3(CCCC3)C2)CCC1
InChIInChI=1S/C13H22O2/c14-13(7-3-8-13)11-4-9-15-12(10-11)5-1-2-6-12/h11,14H,1-10H2
InChIKeySXWOWMNHIKGXLT-UHFFFAOYSA-N
XLogP2.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol?
The IUPAC name of 1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol (CID 79912854) is 1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol.
What is the SMILES notation for 1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol?
The canonical SMILES for 1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol is OC1(C2CCOC3(CCCC3)C2)CCC1.
What is the InChIKey of 1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol?
The InChIKey is SXWOWMNHIKGXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c14-13(7-3-8-13)11-4-9-15-12(10-11)5-1-2-6-12/h11,14H,1-10H2.
What are the key properties of 1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol?
1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol has a molecular weight of 210.32 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol is sourced from PubChem (CID 79912854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).