trans-(1S,2S)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol

C13H23NO3 — CID 16738223

IUPACtrans-(1S,2S)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H23NO3/c15-12-4-2-1-3-11(12)14-7-5-13(6-8-14)16-9-10-17-13/h11-12,15H,1-10H2/t11-,12-/m0/s1
InChIKeyIWLMQUZBTRWHER-RYUDHWBXSA-N
MW241.33 g/mol
LogP1.13
Rot. Bonds1

About trans-(1S,2S)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol

trans-(1S,2S)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol (PubChem CID 16738223) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is trans-(1S,2S)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol
PubChem CID16738223
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nametrans-(1S,2S)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H23NO3/c15-12-4-2-1-3-11(12)14-7-5-13(6-8-14)16-9-10-17-13/h11-12,15H,1-10H2/t11-,12-/m0/s1
InChIKeyIWLMQUZBTRWHER-RYUDHWBXSA-N
XLogP1.13
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol (CID 16738223) is trans-(1S,2S)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1N1CCC2(CC1)OCCO2.
What is the InChIKey of trans-(1S,2S)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol?
The InChIKey is IWLMQUZBTRWHER-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H23NO3/c15-12-4-2-1-3-11(12)14-7-5-13(6-8-14)16-9-10-17-13/h11-12,15H,1-10H2/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol?
trans-(1S,2S)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol has a molecular weight of 241.33 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol is sourced from PubChem (CID 16738223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).