3-(cyclohexyloxymethyl)-8,10-diethyl-3,8,10,11-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane

C31H51NO4 — CID 58982371

IUPAC3-(cyclohexyloxymethyl)-8,10-diethyl-3,8,10,11-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCCC1(C)CC2(OCC(C)(COC3CCCCC3)CO2)C(C)C(C)(CC)N1OC(C)c1ccccc1
InChIInChI=1S/C31H51NO4/c1-8-29(6)20-31(34-22-28(5,23-35-31)21-33-27-18-14-11-15-19-27)25(4)30(7,9-2)32(29)36-24(3)26-16-12-10-13-17-26/h10,12-13,16-17,24-25,27H,8-9,11,14-15,18-23H2,1-7H3
InChIKeyORUWCBVLQGQZJZ-UHFFFAOYSA-N
MW501.75 g/mol
LogP7.46
Rot. Bonds8

About 3-(cyclohexyloxymethyl)-8,10-diethyl-3,8,10,11-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane

3-(cyclohexyloxymethyl)-8,10-diethyl-3,8,10,11-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane (PubChem CID 58982371) has the molecular formula C31H51NO4 and a molecular weight of 501.75 g/mol. Its IUPAC name is 3-(cyclohexyloxymethyl)-8,10-diethyl-3,8,10,11-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(cyclohexyloxymethyl)-8,10-diethyl-3,8,10,11-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
PubChem CID58982371
Molecular FormulaC31H51NO4
Molecular Weight501.75 g/mol
Exact Mass501.38
IUPAC Name3-(cyclohexyloxymethyl)-8,10-diethyl-3,8,10,11-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCCC1(C)CC2(OCC(C)(COC3CCCCC3)CO2)C(C)C(C)(CC)N1OC(C)c1ccccc1
InChIInChI=1S/C31H51NO4/c1-8-29(6)20-31(34-22-28(5,23-35-31)21-33-27-18-14-11-15-19-27)25(4)30(7,9-2)32(29)36-24(3)26-16-12-10-13-17-26/h10,12-13,16-17,24-25,27H,8-9,11,14-15,18-23H2,1-7H3
InChIKeyORUWCBVLQGQZJZ-UHFFFAOYSA-N
XLogP7.46
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.75
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexyloxymethyl)-8,10-diethyl-3,8,10,11-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane?
The IUPAC name of 3-(cyclohexyloxymethyl)-8,10-diethyl-3,8,10,11-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane (CID 58982371) is 3-(cyclohexyloxymethyl)-8,10-diethyl-3,8,10,11-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 3-(cyclohexyloxymethyl)-8,10-diethyl-3,8,10,11-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 3-(cyclohexyloxymethyl)-8,10-diethyl-3,8,10,11-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane is CCC1(C)CC2(OCC(C)(COC3CCCCC3)CO2)C(C)C(C)(CC)N1OC(C)c1ccccc1.
What is the InChIKey of 3-(cyclohexyloxymethyl)-8,10-diethyl-3,8,10,11-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane?
The InChIKey is ORUWCBVLQGQZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H51NO4/c1-8-29(6)20-31(34-22-28(5,23-35-31)21-33-27-18-14-11-15-19-27)25(4)30(7,9-2)32(29)36-24(3)26-16-12-10-13-17-26/h10,12-13,16-17,24-25,27H,8-9,11,14-15,18-23H2,1-7H3.
What are the key properties of 3-(cyclohexyloxymethyl)-8,10-diethyl-3,8,10,11-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane?
3-(cyclohexyloxymethyl)-8,10-diethyl-3,8,10,11-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 501.75 g/mol, XLogP of 7.46, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexyloxymethyl)-8,10-diethyl-3,8,10,11-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 58982371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).