1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylazetidin-3-ol

C12H21NO3 — CID 79919999

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylazetidin-3-ol
SMILESCC1(O)CN(C2CCOC3(CCOC3)C2)C1
InChIInChI=1S/C12H21NO3/c1-11(14)7-13(8-11)10-2-4-16-12(6-10)3-5-15-9-12/h10,14H,2-9H2,1H3
InChIKeyYYPNUOWAFCKZLC-UHFFFAOYSA-N
MW227.30 g/mol
LogP0.39
Rot. Bonds1

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylazetidin-3-ol

1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylazetidin-3-ol (PubChem CID 79919999) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylazetidin-3-ol
PubChem CID79919999
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylazetidin-3-ol
SMILESCC1(O)CN(C2CCOC3(CCOC3)C2)C1
InChIInChI=1S/C12H21NO3/c1-11(14)7-13(8-11)10-2-4-16-12(6-10)3-5-15-9-12/h10,14H,2-9H2,1H3
InChIKeyYYPNUOWAFCKZLC-UHFFFAOYSA-N
XLogP0.39
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)azetidin-3-ol
CID 79920128
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,4-dimethylpiperidin-4-amine
CID 115304909
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylazetidin-3-amine
CID 79919359
[1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-4-yl]methanol
CID 79919762
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpyrrolidin-3-amine
CID 115300476
1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-4-carbonitrile
CID 79903651
2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]acetic acid
CID 79894117
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylsulfanylpiperidin-4-yl]methanamine
CID 79898066
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 79894208
2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)-1,4-diazepan-1-yl]acetic acid
CID 79901138
(3S)-1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-3-amine
CID 115302425
3-[1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-4-yl]propanoic acid
CID 79901129

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylazetidin-3-ol?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylazetidin-3-ol (CID 79919999) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylazetidin-3-ol.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylazetidin-3-ol?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylazetidin-3-ol is CC1(O)CN(C2CCOC3(CCOC3)C2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylazetidin-3-ol?
The InChIKey is YYPNUOWAFCKZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-11(14)7-13(8-11)10-2-4-16-12(6-10)3-5-15-9-12/h10,14H,2-9H2,1H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylazetidin-3-ol?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylazetidin-3-ol has a molecular weight of 227.30 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylazetidin-3-ol is sourced from PubChem (CID 79919999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).