2-[(7-amino-2,2-dimethyl-1,3-dioxocan-5-yl)oxy]ethanol

C10H21NO4 — CID 123293472

IUPAC2-[(7-amino-2,2-dimethyl-1,3-dioxocan-5-yl)oxy]ethanol
SMILESCC1(C)OCC(N)CC(OCCO)CO1
InChIInChI=1S/C10H21NO4/c1-10(2)14-6-8(11)5-9(7-15-10)13-4-3-12/h8-9,12H,3-7,11H2,1-2H3
InChIKeyRZJFZXKCZBIVDH-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.14
Rot. Bonds3

About 2-[(7-amino-2,2-dimethyl-1,3-dioxocan-5-yl)oxy]ethanol

2-[(7-amino-2,2-dimethyl-1,3-dioxocan-5-yl)oxy]ethanol (PubChem CID 123293472) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[(7-amino-2,2-dimethyl-1,3-dioxocan-5-yl)oxy]ethanol.

Molecular Properties

Compound Name2-[(7-amino-2,2-dimethyl-1,3-dioxocan-5-yl)oxy]ethanol
PubChem CID123293472
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name2-[(7-amino-2,2-dimethyl-1,3-dioxocan-5-yl)oxy]ethanol
SMILESCC1(C)OCC(N)CC(OCCO)CO1
InChIInChI=1S/C10H21NO4/c1-10(2)14-6-8(11)5-9(7-15-10)13-4-3-12/h8-9,12H,3-7,11H2,1-2H3
InChIKeyRZJFZXKCZBIVDH-UHFFFAOYSA-N
XLogP-0.14
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(7-amino-2,2-dimethyl-1,3-dioxocan-5-yl)oxy]ethanol with MolForge

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Related Compounds

2-[[(3aR,6R,6aS)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol
CID 134714753
2-[[(3aS,4R,6S,6aR)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol
CID 78358204
5-(2-bromoethyl)-2,2-dimethyl-1,3-dioxane;2-(2,2-dimethyl-1,3-dioxan-5-yl)ethanol
CID 161359020
2-[3-amino-4-(2-methoxypropan-2-yloxy)cyclopentyl]oxyethanol
CID 123374046
5-methoxy-2,2-dimethyl-1,3-dioxane
CID 59156430
2-[[(3aR,4S,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol
CID 148584405
[3-(2-hydroxyethoxy)cyclobutyl] formate
CID 170344966
2-[[(1R,2S,6S,7S,9R)-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecan-7-yl]oxy]ethanol
CID 101335184
3-(3-aminocyclopentyl)oxypropan-1-ol
CID 106938667
2-cyclopentyloxyethanol;ethane;methanamine
CID 144529135
[(5aS,6S,8aR)-6-(hydroxymethyl)-3,3-dimethyl-5,5a,6,7,8,8a-hexahydro-1H-cyclopenta[e][1,3]dioxepin-8-yl]methanol
CID 134865495
2-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]propoxy]ethanol
CID 106309374

Frequently Asked Questions

What is the IUPAC name of 2-[(7-amino-2,2-dimethyl-1,3-dioxocan-5-yl)oxy]ethanol?
The IUPAC name of 2-[(7-amino-2,2-dimethyl-1,3-dioxocan-5-yl)oxy]ethanol (CID 123293472) is 2-[(7-amino-2,2-dimethyl-1,3-dioxocan-5-yl)oxy]ethanol.
What is the SMILES notation for 2-[(7-amino-2,2-dimethyl-1,3-dioxocan-5-yl)oxy]ethanol?
The canonical SMILES for 2-[(7-amino-2,2-dimethyl-1,3-dioxocan-5-yl)oxy]ethanol is CC1(C)OCC(N)CC(OCCO)CO1.
What is the InChIKey of 2-[(7-amino-2,2-dimethyl-1,3-dioxocan-5-yl)oxy]ethanol?
The InChIKey is RZJFZXKCZBIVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-10(2)14-6-8(11)5-9(7-15-10)13-4-3-12/h8-9,12H,3-7,11H2,1-2H3.
What are the key properties of 2-[(7-amino-2,2-dimethyl-1,3-dioxocan-5-yl)oxy]ethanol?
2-[(7-amino-2,2-dimethyl-1,3-dioxocan-5-yl)oxy]ethanol has a molecular weight of 219.28 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-amino-2,2-dimethyl-1,3-dioxocan-5-yl)oxy]ethanol is sourced from PubChem (CID 123293472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).