2-ethyl-1,3-dioxolan-4-ol;nitric acid

C5H11NO6 — CID 70401004

IUPAC2-ethyl-1,3-dioxolan-4-ol;nitric acid
SMILESCCC1OCC(O)O1.O=[N+]([O-])O
InChIInChI=1S/C5H10O3.HNO3/c1-2-5-7-3-4(6)8-5;2-1(3)4/h4-6H,2-3H2,1H3;(H,2,3,4)
InChIKeyIQIASUDKHGBPRB-UHFFFAOYSA-N
MW181.14 g/mol
LogP-0.26
Rot. Bonds1

About 2-ethyl-1,3-dioxolan-4-ol;nitric acid

2-ethyl-1,3-dioxolan-4-ol;nitric acid (PubChem CID 70401004) has the molecular formula C5H11NO6 and a molecular weight of 181.14 g/mol. Its IUPAC name is 2-ethyl-1,3-dioxolan-4-ol;nitric acid.

Molecular Properties

Compound Name2-ethyl-1,3-dioxolan-4-ol;nitric acid
PubChem CID70401004
Molecular FormulaC5H11NO6
Molecular Weight181.14 g/mol
Exact Mass181.06
IUPAC Name2-ethyl-1,3-dioxolan-4-ol;nitric acid
SMILESCCC1OCC(O)O1.O=[N+]([O-])O
InChIInChI=1S/C5H10O3.HNO3/c1-2-5-7-3-4(6)8-5;2-1(3)4/h4-6H,2-3H2,1H3;(H,2,3,4)
InChIKeyIQIASUDKHGBPRB-UHFFFAOYSA-N
XLogP-0.26
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.14
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-ethyl-1,3-dioxolan-4-ol
CID 59048685
(2S,4R,5R)-2,4-diethyl-1,3-dioxan-5-ol
CID 70594997
(2S,4R,5S)-2-ethyl-4-methyl-1,3-dioxan-5-ol
CID 70592812
(2S)-2-ethyl-4-methyl-1,3-dioxolane
CID 59047916
(2S,4S)-4-(chloromethyl)-2-ethyl-1,3-dioxolane
CID 55301636
azane;nitric acid;trimethyl(oxiran-2-ylmethyl)azanium;nitrate
CID 174675745
4-ethyloxetan-2-ol
CID 151879220
azane;nitric acid;hydrochloride
CID 173035617
(2R,3R,4R,5R)-2-(nitromethyl)oxane-3,4,5-triol
CID 11745494
[5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]methanol;bis(nitric acid)
CID 88696106
2-methylbutane;nitric acid
CID 158412732
butane;ethanamine;bis(nitric acid)
CID 175325430

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-dioxolan-4-ol;nitric acid?
The IUPAC name of 2-ethyl-1,3-dioxolan-4-ol;nitric acid (CID 70401004) is 2-ethyl-1,3-dioxolan-4-ol;nitric acid.
What is the SMILES notation for 2-ethyl-1,3-dioxolan-4-ol;nitric acid?
The canonical SMILES for 2-ethyl-1,3-dioxolan-4-ol;nitric acid is CCC1OCC(O)O1.O=[N+]([O-])O.
What is the InChIKey of 2-ethyl-1,3-dioxolan-4-ol;nitric acid?
The InChIKey is IQIASUDKHGBPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.HNO3/c1-2-5-7-3-4(6)8-5;2-1(3)4/h4-6H,2-3H2,1H3;(H,2,3,4).
What are the key properties of 2-ethyl-1,3-dioxolan-4-ol;nitric acid?
2-ethyl-1,3-dioxolan-4-ol;nitric acid has a molecular weight of 181.14 g/mol, XLogP of -0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-dioxolan-4-ol;nitric acid is sourced from PubChem (CID 70401004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).