1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol

C14H27NO5 — CID 106990759

IUPAC1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CN1CCCC2(C1)OCCO2
InChIInChI=1S/C14H27NO5/c1-12(9-17-2)18-10-13(16)8-15-5-3-4-14(11-15)19-6-7-20-14/h12-13,16H,3-11H2,1-2H3
InChIKeyCZWKVHBHAAAQCO-UHFFFAOYSA-N
MW289.37 g/mol
LogP0.24
Rot. Bonds7

About 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol

1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106990759) has the molecular formula C14H27NO5 and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106990759
Molecular FormulaC14H27NO5
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC Name1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CN1CCCC2(C1)OCCO2
InChIInChI=1S/C14H27NO5/c1-12(9-17-2)18-10-13(16)8-15-5-3-4-14(11-15)19-6-7-20-14/h12-13,16H,3-11H2,1-2H3
InChIKeyCZWKVHBHAAAQCO-UHFFFAOYSA-N
XLogP0.24
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol with MolForge

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Related Compounds

1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-4-methylazepan-4-ol
CID 107407198
3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propane-1,2-diol
CID 82851167
1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106991541
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-propan-2-yloxypropan-2-ol
CID 78969826
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 114042479
1-(1-methoxypropan-2-yloxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
CID 106989617
2-[4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazin-1-yl]propanenitrile
CID 106990694
1-(4,4-dimethylazepan-1-yl)-3-methoxypropan-2-ol
CID 65282402
1-(1,3-dihydroisoindol-2-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991981
1-(1-methoxypropan-2-yloxy)-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-2-ol
CID 106992102
1-(3-amino-4-methylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992591
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106990759) is 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol is COCC(C)OCC(O)CN1CCCC2(C1)OCCO2.
What is the InChIKey of 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is CZWKVHBHAAAQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO5/c1-12(9-17-2)18-10-13(16)8-15-5-3-4-14(11-15)19-6-7-20-14/h12-13,16H,3-11H2,1-2H3.
What are the key properties of 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 289.37 g/mol, XLogP of 0.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106990759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).