7,9-diethyl-3,3,6,7,9-pentamethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane

C24H39NO3 — CID 91235372

IUPAC7,9-diethyl-3,3,6,7,9-pentamethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCC1(C)CC2(OCC(C)(C)O2)C(C)C(C)(CC)N1OCCc1ccccc1
InChIInChI=1S/C24H39NO3/c1-8-22(6)17-24(26-18-21(4,5)28-24)19(3)23(7,9-2)25(22)27-16-15-20-13-11-10-12-14-20/h10-14,19H,8-9,15-18H2,1-7H3
InChIKeySEMORXQGDRVHGK-UHFFFAOYSA-N
MW389.58 g/mol
LogP5.36
Rot. Bonds6

About 7,9-diethyl-3,3,6,7,9-pentamethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane

7,9-diethyl-3,3,6,7,9-pentamethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 91235372) has the molecular formula C24H39NO3 and a molecular weight of 389.58 g/mol. Its IUPAC name is 7,9-diethyl-3,3,6,7,9-pentamethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name7,9-diethyl-3,3,6,7,9-pentamethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID91235372
Molecular FormulaC24H39NO3
Molecular Weight389.58 g/mol
Exact Mass389.29
IUPAC Name7,9-diethyl-3,3,6,7,9-pentamethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCC1(C)CC2(OCC(C)(C)O2)C(C)C(C)(CC)N1OCCc1ccccc1
InChIInChI=1S/C24H39NO3/c1-8-22(6)17-24(26-18-21(4,5)28-24)19(3)23(7,9-2)25(22)27-16-15-20-13-11-10-12-14-20/h10-14,19H,8-9,15-18H2,1-7H3
InChIKeySEMORXQGDRVHGK-UHFFFAOYSA-N
XLogP5.36
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.58
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7,9-diethyl-3,3,6,7,9-pentamethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane with MolForge

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Related Compounds

8,10-diethyl-3,3,8,10,11-pentamethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
CID 91222787
3,8,10-triethyl-3,8,10,11-tetramethyl-9-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane
CID 90861734
3,7,9-triethyl-6,7,9-trimethyl-8-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,4-dioxa-8-azaspiro[4.5]decane
CID 91145846
bis[2,6-diethyl-2,3,6-trimethyl-1-(2-phenylethoxy)piperidin-4-yl] but-2-enedioate
CID 91158379
2-[2,6-diethyl-2,3,6-trimethyl-1-(2-phenylethoxy)piperidin-4-yl]isoindole-1,3-dione
CID 91220938
4-[2,6-diethyl-2,3,6-trimethyl-1-(2-phenylethoxy)piperidin-4-yl]oxy-4-oxobut-2-enoic acid
CID 91592608
10,10-diethyl-8,8-dimethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
CID 90694059
(7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate
CID 22182295
[8,10-diethyl-3,8,10,11-tetramethyl-3-(3-oxobutyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl] acetate
CID 129018743
2,2-diethyl-6,6-dimethyl-1-(2-phenylethoxy)-4,4-dipropoxypiperidine
CID 91323827
[(8R)-9-acetyloxy-3,8,10-triethyl-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methyl acetate
CID 142185070
[(2R,4R)-2,5,5-trimethyl-2-(2-phenylethyl)-1,3-dioxan-4-yl]methanol
CID 101093882

Frequently Asked Questions

What is the IUPAC name of 7,9-diethyl-3,3,6,7,9-pentamethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 7,9-diethyl-3,3,6,7,9-pentamethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane (CID 91235372) is 7,9-diethyl-3,3,6,7,9-pentamethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 7,9-diethyl-3,3,6,7,9-pentamethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 7,9-diethyl-3,3,6,7,9-pentamethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane is CCC1(C)CC2(OCC(C)(C)O2)C(C)C(C)(CC)N1OCCc1ccccc1.
What is the InChIKey of 7,9-diethyl-3,3,6,7,9-pentamethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is SEMORXQGDRVHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39NO3/c1-8-22(6)17-24(26-18-21(4,5)28-24)19(3)23(7,9-2)25(22)27-16-15-20-13-11-10-12-14-20/h10-14,19H,8-9,15-18H2,1-7H3.
What are the key properties of 7,9-diethyl-3,3,6,7,9-pentamethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane?
7,9-diethyl-3,3,6,7,9-pentamethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 389.58 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-diethyl-3,3,6,7,9-pentamethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 91235372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).