5-hydroxy-2-(2-hydroxyethyl)-1,1,3,3,10,10-hexamethyl-7,12-dioxa-2-azaspiro[5.6]dodecane-8,11-dione

C17H29NO6 — CID 162494935

IUPAC5-hydroxy-2-(2-hydroxyethyl)-1,1,3,3,10,10-hexamethyl-7,12-dioxa-2-azaspiro[5.6]dodecane-8,11-dione
SMILESCC1(C)CC(=O)OC2(OC1=O)C(O)CC(C)(C)N(CCO)C2(C)C
InChIInChI=1S/C17H29NO6/c1-14(2)10-12(21)23-17(24-13(14)22)11(20)9-15(3,4)18(7-8-19)16(17,5)6/h11,19-20H,7-10H2,1-6H3
InChIKeyXRJQJOUCVPQUQD-UHFFFAOYSA-N
MW343.42 g/mol
LogP0.82
Rot. Bonds2

About 5-hydroxy-2-(2-hydroxyethyl)-1,1,3,3,10,10-hexamethyl-7,12-dioxa-2-azaspiro[5.6]dodecane-8,11-dione

5-hydroxy-2-(2-hydroxyethyl)-1,1,3,3,10,10-hexamethyl-7,12-dioxa-2-azaspiro[5.6]dodecane-8,11-dione (PubChem CID 162494935) has the molecular formula C17H29NO6 and a molecular weight of 343.42 g/mol. Its IUPAC name is 5-hydroxy-2-(2-hydroxyethyl)-1,1,3,3,10,10-hexamethyl-7,12-dioxa-2-azaspiro[5.6]dodecane-8,11-dione.

Molecular Properties

Compound Name5-hydroxy-2-(2-hydroxyethyl)-1,1,3,3,10,10-hexamethyl-7,12-dioxa-2-azaspiro[5.6]dodecane-8,11-dione
PubChem CID162494935
Molecular FormulaC17H29NO6
Molecular Weight343.42 g/mol
Exact Mass343.20
IUPAC Name5-hydroxy-2-(2-hydroxyethyl)-1,1,3,3,10,10-hexamethyl-7,12-dioxa-2-azaspiro[5.6]dodecane-8,11-dione
SMILESCC1(C)CC(=O)OC2(OC1=O)C(O)CC(C)(C)N(CCO)C2(C)C
InChIInChI=1S/C17H29NO6/c1-14(2)10-12(21)23-17(24-13(14)22)11(20)9-15(3,4)18(7-8-19)16(17,5)6/h11,19-20H,7-10H2,1-6H3
InChIKeyXRJQJOUCVPQUQD-UHFFFAOYSA-N
XLogP0.82
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(2-hydroxyethyl)-1,1,3,3,10,10-hexamethyl-7,12-dioxa-2-azaspiro[5.6]dodecane-8,11-dione?
The IUPAC name of 5-hydroxy-2-(2-hydroxyethyl)-1,1,3,3,10,10-hexamethyl-7,12-dioxa-2-azaspiro[5.6]dodecane-8,11-dione (CID 162494935) is 5-hydroxy-2-(2-hydroxyethyl)-1,1,3,3,10,10-hexamethyl-7,12-dioxa-2-azaspiro[5.6]dodecane-8,11-dione.
What is the SMILES notation for 5-hydroxy-2-(2-hydroxyethyl)-1,1,3,3,10,10-hexamethyl-7,12-dioxa-2-azaspiro[5.6]dodecane-8,11-dione?
The canonical SMILES for 5-hydroxy-2-(2-hydroxyethyl)-1,1,3,3,10,10-hexamethyl-7,12-dioxa-2-azaspiro[5.6]dodecane-8,11-dione is CC1(C)CC(=O)OC2(OC1=O)C(O)CC(C)(C)N(CCO)C2(C)C.
What is the InChIKey of 5-hydroxy-2-(2-hydroxyethyl)-1,1,3,3,10,10-hexamethyl-7,12-dioxa-2-azaspiro[5.6]dodecane-8,11-dione?
The InChIKey is XRJQJOUCVPQUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO6/c1-14(2)10-12(21)23-17(24-13(14)22)11(20)9-15(3,4)18(7-8-19)16(17,5)6/h11,19-20H,7-10H2,1-6H3.
What are the key properties of 5-hydroxy-2-(2-hydroxyethyl)-1,1,3,3,10,10-hexamethyl-7,12-dioxa-2-azaspiro[5.6]dodecane-8,11-dione?
5-hydroxy-2-(2-hydroxyethyl)-1,1,3,3,10,10-hexamethyl-7,12-dioxa-2-azaspiro[5.6]dodecane-8,11-dione has a molecular weight of 343.42 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(2-hydroxyethyl)-1,1,3,3,10,10-hexamethyl-7,12-dioxa-2-azaspiro[5.6]dodecane-8,11-dione is sourced from PubChem (CID 162494935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).