3-[bis(hydroxymethoxy)methyl]-5,5-dimethylimidazolidine-2,4-dione

C8H14N2O6 — CID 173212284

IUPAC3-[bis(hydroxymethoxy)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(C(OCO)OCO)C1=O
InChIInChI=1S/C8H14N2O6/c1-8(2)5(13)10(6(14)9-8)7(15-3-11)16-4-12/h7,11-12H,3-4H2,1-2H3,(H,9,14)
InChIKeyYBBVXLQUAMGNHS-UHFFFAOYSA-N
MW234.21 g/mol
LogP-1.47
Rot. Bonds5

About 3-[bis(hydroxymethoxy)methyl]-5,5-dimethylimidazolidine-2,4-dione

3-[bis(hydroxymethoxy)methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 173212284) has the molecular formula C8H14N2O6 and a molecular weight of 234.21 g/mol. Its IUPAC name is 3-[bis(hydroxymethoxy)methyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[bis(hydroxymethoxy)methyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID173212284
Molecular FormulaC8H14N2O6
Molecular Weight234.21 g/mol
Exact Mass234.09
IUPAC Name3-[bis(hydroxymethoxy)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(C(OCO)OCO)C1=O
InChIInChI=1S/C8H14N2O6/c1-8(2)5(13)10(6(14)9-8)7(15-3-11)16-4-12/h7,11-12H,3-4H2,1-2H3,(H,9,14)
InChIKeyYBBVXLQUAMGNHS-UHFFFAOYSA-N
XLogP-1.47
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5,5-dimethyl-3-(1-trihydroxysilylpropyl)imidazolidine-2,4-dione
CID 69251235
(2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid
CID 69108488
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbutanoic acid
CID 82028835
(2S)-3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
CID 11402201
(2S)-3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid;(2R)-3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
CID 160791628
3-[(2R)-2-aminobutyl]-5,5-dimethylimidazolidine-2,4-dione
CID 94753955
methyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 3164174
3-(bromomethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 12847944
propan-2-yl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 112722968
7-(hydroxymethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
CID 115096214
(2R)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]propanamide
CID 51498109
1,3-bis(hydroxymethoxy)-5,5-dimethylimidazolidine-2,4-dione
CID 174913705

Frequently Asked Questions

What is the IUPAC name of 3-[bis(hydroxymethoxy)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[bis(hydroxymethoxy)methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 173212284) is 3-[bis(hydroxymethoxy)methyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[bis(hydroxymethoxy)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[bis(hydroxymethoxy)methyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(C(OCO)OCO)C1=O.
What is the InChIKey of 3-[bis(hydroxymethoxy)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is YBBVXLQUAMGNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O6/c1-8(2)5(13)10(6(14)9-8)7(15-3-11)16-4-12/h7,11-12H,3-4H2,1-2H3,(H,9,14).
What are the key properties of 3-[bis(hydroxymethoxy)methyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[bis(hydroxymethoxy)methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 234.21 g/mol, XLogP of -1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(hydroxymethoxy)methyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 173212284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).