(8S)-7,8-di(propan-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane;(6S)-6,7-di(propan-2-yl)-1-oxa-7-azaspiro[3.4]octane

C24H46N2O3 — CID 160519941

IUPAC(8S)-7,8-di(propan-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane;(6S)-6,7-di(propan-2-yl)-1-oxa-7-azaspiro[3.4]octane
SMILESCC(C)[C@@H]1CC2(CCO2)CN1C(C)C.CC(C)[C@@H]1CC2(CN1C(C)C)OCCO2
InChIInChI=1S/C12H23NO2.C12H23NO/c1-9(2)11-7-12(14-5-6-15-12)8-13(11)10(3)4;1-9(2)11-7-12(5-6-14-12)8-13(11)10(3)4/h9-11H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3/t11-;11-,12?/m00/s1
InChIKeyQUDHJMAMAGHRMB-NPWWOGFTSA-N
MW410.64 g/mol
LogP4.15
Rot. Bonds4

About (8S)-7,8-di(propan-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane;(6S)-6,7-di(propan-2-yl)-1-oxa-7-azaspiro[3.4]octane

(8S)-7,8-di(propan-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane;(6S)-6,7-di(propan-2-yl)-1-oxa-7-azaspiro[3.4]octane (PubChem CID 160519941) has the molecular formula C24H46N2O3 and a molecular weight of 410.64 g/mol. Its IUPAC name is (8S)-7,8-di(propan-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane;(6S)-6,7-di(propan-2-yl)-1-oxa-7-azaspiro[3.4]octane.

Molecular Properties

Compound Name(8S)-7,8-di(propan-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane;(6S)-6,7-di(propan-2-yl)-1-oxa-7-azaspiro[3.4]octane
PubChem CID160519941
Molecular FormulaC24H46N2O3
Molecular Weight410.64 g/mol
Exact Mass410.35
IUPAC Name(8S)-7,8-di(propan-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane;(6S)-6,7-di(propan-2-yl)-1-oxa-7-azaspiro[3.4]octane
SMILESCC(C)[C@@H]1CC2(CCO2)CN1C(C)C.CC(C)[C@@H]1CC2(CN1C(C)C)OCCO2
InChIInChI=1S/C12H23NO2.C12H23NO/c1-9(2)11-7-12(14-5-6-15-12)8-13(11)10(3)4;1-9(2)11-7-12(5-6-14-12)8-13(11)10(3)4/h9-11H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3/t11-;11-,12?/m00/s1
InChIKeyQUDHJMAMAGHRMB-NPWWOGFTSA-N
XLogP4.15
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.64
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (8S)-7,8-di(propan-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane;(6S)-6,7-di(propan-2-yl)-1-oxa-7-azaspiro[3.4]octane with MolForge

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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;(6S)-6,7-di(propan-2-yl)-1-oxa-7-azaspiro[3.4]octane?
The IUPAC name of (8S)-7,8-di(propan-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane;(6S)-6,7-di(propan-2-yl)-1-oxa-7-azaspiro[3.4]octane (CID 160519941) is (8S)-7,8-di(propan-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane;(6S)-6,7-di(propan-2-yl)-1-oxa-7-azaspiro[3.4]octane.
What is the SMILES notation for (8S)-7,8-di(propan-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane;(6S)-6,7-di(propan-2-yl)-1-oxa-7-azaspiro[3.4]octane?
The canonical SMILES for (8S)-7,8-di(propan-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane;(6S)-6,7-di(propan-2-yl)-1-oxa-7-azaspiro[3.4]octane is CC(C)[C@@H]1CC2(CCO2)CN1C(C)C.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;(6S)-6,7-di(propan-2-yl)-1-oxa-7-azaspiro[3.4]octane?
The InChIKey is QUDHJMAMAGHRMB-NPWWOGFTSA-N. The full InChI is InChI=1S/C12H23NO2.C12H23NO/c1-9(2)11-7-12(14-5-6-15-12)8-13(11)10(3)4;1-9(2)11-7-12(5-6-14-12)8-13(11)10(3)4/h9-11H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3/t11-;11-,12?/m00/s1.
What are the key properties of (8S)-7,8-di(propan-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane;(6S)-6,7-di(propan-2-yl)-1-oxa-7-azaspiro[3.4]octane?
(8S)-7,8-di(propan-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane;(6S)-6,7-di(propan-2-yl)-1-oxa-7-azaspiro[3.4]octane has a molecular weight of 410.64 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 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;(6S)-6,7-di(propan-2-yl)-1-oxa-7-azaspiro[3.4]octane is sourced from PubChem (CID 160519941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).