8,10-diethyl-8,10,11-trimethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane

C23H37NO3 — CID 90875356

IUPAC8,10-diethyl-8,10,11-trimethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCCC1(C)CC2(OCCCO2)C(C)C(C)(CC)N1OCCc1ccccc1
InChIInChI=1S/C23H37NO3/c1-6-21(4)18-23(25-15-11-16-26-23)19(3)22(5,7-2)24(21)27-17-14-20-12-9-8-10-13-20/h8-10,12-13,19H,6-7,11,14-18H2,1-5H3
InChIKeyZEQXDNBCQPZWCY-UHFFFAOYSA-N
MW375.55 g/mol
LogP4.97
Rot. Bonds6

About 8,10-diethyl-8,10,11-trimethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane

8,10-diethyl-8,10,11-trimethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane (PubChem CID 90875356) has the molecular formula C23H37NO3 and a molecular weight of 375.55 g/mol. Its IUPAC name is 8,10-diethyl-8,10,11-trimethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name8,10-diethyl-8,10,11-trimethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
PubChem CID90875356
Molecular FormulaC23H37NO3
Molecular Weight375.55 g/mol
Exact Mass375.28
IUPAC Name8,10-diethyl-8,10,11-trimethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCCC1(C)CC2(OCCCO2)C(C)C(C)(CC)N1OCCc1ccccc1
InChIInChI=1S/C23H37NO3/c1-6-21(4)18-23(25-15-11-16-26-23)19(3)22(5,7-2)24(21)27-17-14-20-12-9-8-10-13-20/h8-10,12-13,19H,6-7,11,14-18H2,1-5H3
InChIKeyZEQXDNBCQPZWCY-UHFFFAOYSA-N
XLogP4.97
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.55
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8,10-diethyl-8,10,11-trimethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane?
The IUPAC name of 8,10-diethyl-8,10,11-trimethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane (CID 90875356) is 8,10-diethyl-8,10,11-trimethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 8,10-diethyl-8,10,11-trimethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 8,10-diethyl-8,10,11-trimethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane is CCC1(C)CC2(OCCCO2)C(C)C(C)(CC)N1OCCc1ccccc1.
What is the InChIKey of 8,10-diethyl-8,10,11-trimethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane?
The InChIKey is ZEQXDNBCQPZWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO3/c1-6-21(4)18-23(25-15-11-16-26-23)19(3)22(5,7-2)24(21)27-17-14-20-12-9-8-10-13-20/h8-10,12-13,19H,6-7,11,14-18H2,1-5H3.
What are the key properties of 8,10-diethyl-8,10,11-trimethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane?
8,10-diethyl-8,10,11-trimethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 375.55 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-diethyl-8,10,11-trimethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 90875356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).