7,9-diethyl-3-(hydroxymethyl)-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-ol

C15H29NO4 — CID 69267413

IUPAC7,9-diethyl-3-(hydroxymethyl)-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-ol
SMILESCCC1(C)CC2(OCC(O)(CO)O2)C(C)C(C)(CC)N1
InChIInChI=1S/C15H29NO4/c1-6-12(4)8-15(11(3)13(5,7-2)16-12)19-10-14(18,9-17)20-15/h11,16-18H,6-10H2,1-5H3
InChIKeyXOWORIWGOBPVIC-UHFFFAOYSA-N
MW287.40 g/mol
LogP1.38
Rot. Bonds3

About 7,9-diethyl-3-(hydroxymethyl)-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-ol

7,9-diethyl-3-(hydroxymethyl)-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-ol (PubChem CID 69267413) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is 7,9-diethyl-3-(hydroxymethyl)-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-ol.

Molecular Properties

Compound Name7,9-diethyl-3-(hydroxymethyl)-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-ol
PubChem CID69267413
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Name7,9-diethyl-3-(hydroxymethyl)-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-ol
SMILESCCC1(C)CC2(OCC(O)(CO)O2)C(C)C(C)(CC)N1
InChIInChI=1S/C15H29NO4/c1-6-12(4)8-15(11(3)13(5,7-2)16-12)19-10-14(18,9-17)20-15/h11,16-18H,6-10H2,1-5H3
InChIKeyXOWORIWGOBPVIC-UHFFFAOYSA-N
XLogP1.38
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,9-diethyl-3-(hydroxymethyl)-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-ol?
The IUPAC name of 7,9-diethyl-3-(hydroxymethyl)-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-ol (CID 69267413) is 7,9-diethyl-3-(hydroxymethyl)-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-ol.
What is the SMILES notation for 7,9-diethyl-3-(hydroxymethyl)-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-ol?
The canonical SMILES for 7,9-diethyl-3-(hydroxymethyl)-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-ol is CCC1(C)CC2(OCC(O)(CO)O2)C(C)C(C)(CC)N1.
What is the InChIKey of 7,9-diethyl-3-(hydroxymethyl)-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-ol?
The InChIKey is XOWORIWGOBPVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-6-12(4)8-15(11(3)13(5,7-2)16-12)19-10-14(18,9-17)20-15/h11,16-18H,6-10H2,1-5H3.
What are the key properties of 7,9-diethyl-3-(hydroxymethyl)-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-ol?
7,9-diethyl-3-(hydroxymethyl)-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-ol has a molecular weight of 287.40 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-diethyl-3-(hydroxymethyl)-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-ol is sourced from PubChem (CID 69267413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).