1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclobutan-1-ol

C12H20O3 — CID 79912746

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
SMILESOC1(C2CCOC3(CCOC3)C2)CCC1
InChIInChI=1S/C12H20O3/c13-12(3-1-4-12)10-2-6-15-11(8-10)5-7-14-9-11/h10,13H,1-9H2
InChIKeyTVLBGCOAOLCKLV-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.49
Rot. Bonds1

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclobutan-1-ol

1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclobutan-1-ol (PubChem CID 79912746) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
PubChem CID79912746
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
SMILESOC1(C2CCOC3(CCOC3)C2)CCC1
InChIInChI=1S/C12H20O3/c13-12(3-1-4-12)10-2-6-15-11(8-10)5-7-14-9-11/h10,13H,1-9H2
InChIKeyTVLBGCOAOLCKLV-UHFFFAOYSA-N
XLogP1.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912854
3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclohexan-1-ol
CID 80561361
3-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-3-ol
CID 79902057
1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79900915
3-(6-oxaspiro[4.5]decan-9-yl)oxan-3-ol
CID 79913860
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-propylcyclohexan-1-ol
CID 79899722
4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-ol
CID 79913776
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4,4-dimethylcyclohexan-1-ol
CID 79912494
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-ol
CID 79901774
4-(5-oxaspiro[3.5]nonan-8-yl)azepan-4-ol
CID 103982956
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-(propylamino)cyclohexan-1-ol
CID 79907952
2,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79913866

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclobutan-1-ol?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclobutan-1-ol (CID 79912746) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclobutan-1-ol.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclobutan-1-ol?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclobutan-1-ol is OC1(C2CCOC3(CCOC3)C2)CCC1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclobutan-1-ol?
The InChIKey is TVLBGCOAOLCKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c13-12(3-1-4-12)10-2-6-15-11(8-10)5-7-14-9-11/h10,13H,1-9H2.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclobutan-1-ol?
1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclobutan-1-ol has a molecular weight of 212.29 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclobutan-1-ol is sourced from PubChem (CID 79912746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).