trans-(1S,2S)-2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)cyclohexan-1-ol

C12H21NO3 — CID 16738222

IUPACtrans-(1S,2S)-2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1N1CCC2(C1)OCCO2
InChIInChI=1S/C12H21NO3/c14-11-4-2-1-3-10(11)13-6-5-12(9-13)15-7-8-16-12/h10-11,14H,1-9H2/t10-,11-/m0/s1
InChIKeyXMNFTZCUFOTFST-QWRGUYRKSA-N
MW227.30 g/mol
LogP0.74
Rot. Bonds1

About trans-(1S,2S)-2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)cyclohexan-1-ol

trans-(1S,2S)-2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)cyclohexan-1-ol (PubChem CID 16738222) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is trans-(1S,2S)-2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)cyclohexan-1-ol
PubChem CID16738222
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nametrans-(1S,2S)-2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1N1CCC2(C1)OCCO2
InChIInChI=1S/C12H21NO3/c14-11-4-2-1-3-10(11)13-6-5-12(9-13)15-7-8-16-12/h10-11,14H,1-9H2/t10-,11-/m0/s1
InChIKeyXMNFTZCUFOTFST-QWRGUYRKSA-N
XLogP0.74
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 ≤ 50.74
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-7-azaspiro[4.4]nonan-7-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)cyclohexan-1-ol (CID 16738222) is trans-(1S,2S)-2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1N1CCC2(C1)OCCO2.
What is the InChIKey of trans-(1S,2S)-2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)cyclohexan-1-ol?
The InChIKey is XMNFTZCUFOTFST-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H21NO3/c14-11-4-2-1-3-10(11)13-6-5-12(9-13)15-7-8-16-12/h10-11,14H,1-9H2/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)cyclohexan-1-ol?
trans-(1S,2S)-2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)cyclohexan-1-ol has a molecular weight of 227.30 g/mol, XLogP of 0.74, 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-7-azaspiro[4.4]nonan-7-yl)cyclohexan-1-ol is sourced from PubChem (CID 16738222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).