7,7,9,9-tetramethyl-8-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,4-dioxa-8-azaspiro[4.5]decane

C22H33NO5 — CID 90711548

IUPAC7,7,9,9-tetramethyl-8-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCC1(C)CC2(CC(C)(C)N1OCCc1ccc(OCC3CO3)cc1)OCCO2
InChIInChI=1S/C22H33NO5/c1-20(2)15-22(26-11-12-27-22)16-21(3,4)23(20)28-10-9-17-5-7-18(8-6-17)24-13-19-14-25-19/h5-8,19H,9-16H2,1-4H3
InChIKeyHCMVTRWLOUOKAI-UHFFFAOYSA-N
MW391.51 g/mol
LogP3.33
Rot. Bonds7

About 7,7,9,9-tetramethyl-8-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,4-dioxa-8-azaspiro[4.5]decane

7,7,9,9-tetramethyl-8-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 90711548) has the molecular formula C22H33NO5 and a molecular weight of 391.51 g/mol. Its IUPAC name is 7,7,9,9-tetramethyl-8-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name7,7,9,9-tetramethyl-8-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID90711548
Molecular FormulaC22H33NO5
Molecular Weight391.51 g/mol
Exact Mass391.24
IUPAC Name7,7,9,9-tetramethyl-8-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCC1(C)CC2(CC(C)(C)N1OCCc1ccc(OCC3CO3)cc1)OCCO2
InChIInChI=1S/C22H33NO5/c1-20(2)15-22(26-11-12-27-22)16-21(3,4)23(20)28-10-9-17-5-7-18(8-6-17)24-13-19-14-25-19/h5-8,19H,9-16H2,1-4H3
InChIKeyHCMVTRWLOUOKAI-UHFFFAOYSA-N
XLogP3.33
TPSA52.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,7,9,9-tetramethyl-8-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 7,7,9,9-tetramethyl-8-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,4-dioxa-8-azaspiro[4.5]decane (CID 90711548) is 7,7,9,9-tetramethyl-8-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 7,7,9,9-tetramethyl-8-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 7,7,9,9-tetramethyl-8-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,4-dioxa-8-azaspiro[4.5]decane is CC1(C)CC2(CC(C)(C)N1OCCc1ccc(OCC3CO3)cc1)OCCO2.
What is the InChIKey of 7,7,9,9-tetramethyl-8-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is HCMVTRWLOUOKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO5/c1-20(2)15-22(26-11-12-27-22)16-21(3,4)23(20)28-10-9-17-5-7-18(8-6-17)24-13-19-14-25-19/h5-8,19H,9-16H2,1-4H3.
What are the key properties of 7,7,9,9-tetramethyl-8-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,4-dioxa-8-azaspiro[4.5]decane?
7,7,9,9-tetramethyl-8-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 391.51 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,9,9-tetramethyl-8-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 90711548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).