1,6-bis[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-3,3,4,4,8,8,9,9-octamethyl-1,6-diazaspiro[4.4]nonane-2,7-dione

C39H50N2O4 — CID 19837354

IUPAC1,6-bis[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-3,3,4,4,8,8,9,9-octamethyl-1,6-diazaspiro[4.4]nonane-2,7-dione
SMILESC=CCc1cc(N2C(=O)C(C)(C)C(C)(C)C23N(c2cc(CC=C)c(O)c(CC=C)c2)C(=O)C(C)(C)C3(C)C)cc(CC=C)c1O
InChIInChI=1S/C39H50N2O4/c1-13-17-25-21-29(22-26(18-14-2)31(25)42)40-33(44)35(5,6)37(9,10)39(40)38(11,12)36(7,8)34(45)41(39)30-23-27(19-15-3)32(43)28(24-30)20-16-4/h13-16,21-24,42-43H,1-4,17-20H2,5-12H3
InChIKeyFVOBVQNGBVFJCZ-UHFFFAOYSA-N
MW610.84 g/mol
LogP8.21
Rot. Bonds10

About 1,6-bis[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-3,3,4,4,8,8,9,9-octamethyl-1,6-diazaspiro[4.4]nonane-2,7-dione

1,6-bis[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-3,3,4,4,8,8,9,9-octamethyl-1,6-diazaspiro[4.4]nonane-2,7-dione (PubChem CID 19837354) has the molecular formula C39H50N2O4 and a molecular weight of 610.84 g/mol. Its IUPAC name is 1,6-bis[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-3,3,4,4,8,8,9,9-octamethyl-1,6-diazaspiro[4.4]nonane-2,7-dione.

Molecular Properties

Compound Name1,6-bis[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-3,3,4,4,8,8,9,9-octamethyl-1,6-diazaspiro[4.4]nonane-2,7-dione
PubChem CID19837354
Molecular FormulaC39H50N2O4
Molecular Weight610.84 g/mol
Exact Mass610.38
IUPAC Name1,6-bis[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-3,3,4,4,8,8,9,9-octamethyl-1,6-diazaspiro[4.4]nonane-2,7-dione
SMILESC=CCc1cc(N2C(=O)C(C)(C)C(C)(C)C23N(c2cc(CC=C)c(O)c(CC=C)c2)C(=O)C(C)(C)C3(C)C)cc(CC=C)c1O
InChIInChI=1S/C39H50N2O4/c1-13-17-25-21-29(22-26(18-14-2)31(25)42)40-33(44)35(5,6)37(9,10)39(40)38(11,12)36(7,8)34(45)41(39)30-23-27(19-15-3)32(43)28(24-30)20-16-4/h13-16,21-24,42-43H,1-4,17-20H2,5-12H3
InChIKeyFVOBVQNGBVFJCZ-UHFFFAOYSA-N
XLogP8.21
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.84
LogP ≤ 58.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,6-bis[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-3,3,4,4,8,8,9,9-octamethyl-1,6-diazaspiro[4.4]nonane-2,7-dione?
The IUPAC name of 1,6-bis[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-3,3,4,4,8,8,9,9-octamethyl-1,6-diazaspiro[4.4]nonane-2,7-dione (CID 19837354) is 1,6-bis[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-3,3,4,4,8,8,9,9-octamethyl-1,6-diazaspiro[4.4]nonane-2,7-dione.
What is the SMILES notation for 1,6-bis[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-3,3,4,4,8,8,9,9-octamethyl-1,6-diazaspiro[4.4]nonane-2,7-dione?
The canonical SMILES for 1,6-bis[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-3,3,4,4,8,8,9,9-octamethyl-1,6-diazaspiro[4.4]nonane-2,7-dione is C=CCc1cc(N2C(=O)C(C)(C)C(C)(C)C23N(c2cc(CC=C)c(O)c(CC=C)c2)C(=O)C(C)(C)C3(C)C)cc(CC=C)c1O.
What is the InChIKey of 1,6-bis[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-3,3,4,4,8,8,9,9-octamethyl-1,6-diazaspiro[4.4]nonane-2,7-dione?
The InChIKey is FVOBVQNGBVFJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H50N2O4/c1-13-17-25-21-29(22-26(18-14-2)31(25)42)40-33(44)35(5,6)37(9,10)39(40)38(11,12)36(7,8)34(45)41(39)30-23-27(19-15-3)32(43)28(24-30)20-16-4/h13-16,21-24,42-43H,1-4,17-20H2,5-12H3.
What are the key properties of 1,6-bis[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-3,3,4,4,8,8,9,9-octamethyl-1,6-diazaspiro[4.4]nonane-2,7-dione?
1,6-bis[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-3,3,4,4,8,8,9,9-octamethyl-1,6-diazaspiro[4.4]nonane-2,7-dione has a molecular weight of 610.84 g/mol, XLogP of 8.21, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-3,3,4,4,8,8,9,9-octamethyl-1,6-diazaspiro[4.4]nonane-2,7-dione is sourced from PubChem (CID 19837354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).