8-(8,8-dimethyl-6,10-dioxospiro[4.5]decan-3-yl)-1,3-dipropyl-7H-purine-2,6-dione

C23H32N4O4 — CID 67813083

IUPAC8-(8,8-dimethyl-6,10-dioxospiro[4.5]decan-3-yl)-1,3-dipropyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(C3CCC4(C3)C(=O)CC(C)(C)CC4=O)nc2n(CCC)c1=O
InChIInChI=1S/C23H32N4O4/c1-5-9-26-19-17(20(30)27(10-6-2)21(26)31)24-18(25-19)14-7-8-23(11-14)15(28)12-22(3,4)13-16(23)29/h14H,5-13H2,1-4H3,(H,24,25)
InChIKeyFJQOYTJTWDCACU-UHFFFAOYSA-N
MW428.53 g/mol
LogP2.92
Rot. Bonds5

About 8-(8,8-dimethyl-6,10-dioxospiro[4.5]decan-3-yl)-1,3-dipropyl-7H-purine-2,6-dione

8-(8,8-dimethyl-6,10-dioxospiro[4.5]decan-3-yl)-1,3-dipropyl-7H-purine-2,6-dione (PubChem CID 67813083) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is 8-(8,8-dimethyl-6,10-dioxospiro[4.5]decan-3-yl)-1,3-dipropyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-(8,8-dimethyl-6,10-dioxospiro[4.5]decan-3-yl)-1,3-dipropyl-7H-purine-2,6-dione
PubChem CID67813083
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC Name8-(8,8-dimethyl-6,10-dioxospiro[4.5]decan-3-yl)-1,3-dipropyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(C3CCC4(C3)C(=O)CC(C)(C)CC4=O)nc2n(CCC)c1=O
InChIInChI=1S/C23H32N4O4/c1-5-9-26-19-17(20(30)27(10-6-2)21(26)31)24-18(25-19)14-7-8-23(11-14)15(28)12-22(3,4)13-16(23)29/h14H,5-13H2,1-4H3,(H,24,25)
InChIKeyFJQOYTJTWDCACU-UHFFFAOYSA-N
XLogP2.92
TPSA106.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(8,8-dimethyl-6,10-dioxospiro[4.5]decan-3-yl)-1,3-dipropyl-7H-purine-2,6-dione?
The IUPAC name of 8-(8,8-dimethyl-6,10-dioxospiro[4.5]decan-3-yl)-1,3-dipropyl-7H-purine-2,6-dione (CID 67813083) is 8-(8,8-dimethyl-6,10-dioxospiro[4.5]decan-3-yl)-1,3-dipropyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-(8,8-dimethyl-6,10-dioxospiro[4.5]decan-3-yl)-1,3-dipropyl-7H-purine-2,6-dione?
The canonical SMILES for 8-(8,8-dimethyl-6,10-dioxospiro[4.5]decan-3-yl)-1,3-dipropyl-7H-purine-2,6-dione is CCCn1c(=O)c2[nH]c(C3CCC4(C3)C(=O)CC(C)(C)CC4=O)nc2n(CCC)c1=O.
What is the InChIKey of 8-(8,8-dimethyl-6,10-dioxospiro[4.5]decan-3-yl)-1,3-dipropyl-7H-purine-2,6-dione?
The InChIKey is FJQOYTJTWDCACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4/c1-5-9-26-19-17(20(30)27(10-6-2)21(26)31)24-18(25-19)14-7-8-23(11-14)15(28)12-22(3,4)13-16(23)29/h14H,5-13H2,1-4H3,(H,24,25).
What are the key properties of 8-(8,8-dimethyl-6,10-dioxospiro[4.5]decan-3-yl)-1,3-dipropyl-7H-purine-2,6-dione?
8-(8,8-dimethyl-6,10-dioxospiro[4.5]decan-3-yl)-1,3-dipropyl-7H-purine-2,6-dione has a molecular weight of 428.53 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(8,8-dimethyl-6,10-dioxospiro[4.5]decan-3-yl)-1,3-dipropyl-7H-purine-2,6-dione is sourced from PubChem (CID 67813083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).