(8S)-7,8-di(propan-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane

C12H23NO2 — CID 59610823

IUPAC(8S)-7,8-di(propan-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESCC(C)[C@@H]1CC2(CN1C(C)C)OCCO2
InChIInChI=1S/C12H23NO2/c1-9(2)11-7-12(14-5-6-15-12)8-13(11)10(3)4/h9-11H,5-8H2,1-4H3/t11-/m0/s1
InChIKeyINMNFMKNHBBCCG-NSHDSACASA-N
MW213.32 g/mol
LogP1.87
Rot. Bonds2

About (8S)-7,8-di(propan-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane

(8S)-7,8-di(propan-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane (PubChem CID 59610823) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (8S)-7,8-di(propan-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(8S)-7,8-di(propan-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane
PubChem CID59610823
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(8S)-7,8-di(propan-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESCC(C)[C@@H]1CC2(CN1C(C)C)OCCO2
InChIInChI=1S/C12H23NO2/c1-9(2)11-7-12(14-5-6-15-12)8-13(11)10(3)4/h9-11H,5-8H2,1-4H3/t11-/m0/s1
InChIKeyINMNFMKNHBBCCG-NSHDSACASA-N
XLogP1.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8S)-7,8-di(propan-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane?
The IUPAC name of (8S)-7,8-di(propan-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane (CID 59610823) is (8S)-7,8-di(propan-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for (8S)-7,8-di(propan-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane?
The canonical SMILES for (8S)-7,8-di(propan-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane is CC(C)[C@@H]1CC2(CN1C(C)C)OCCO2.
What is the InChIKey of (8S)-7,8-di(propan-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane?
The InChIKey is INMNFMKNHBBCCG-NSHDSACASA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(2)11-7-12(14-5-6-15-12)8-13(11)10(3)4/h9-11H,5-8H2,1-4H3/t11-/m0/s1.
What are the key properties of (8S)-7,8-di(propan-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane?
(8S)-7,8-di(propan-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane has a molecular weight of 213.32 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-7,8-di(propan-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 59610823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).