(E)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-hydroxyethenediazonium

C8H13N2O4+ — CID 10013018

IUPAC(E)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-hydroxyethenediazonium
SMILESCC1(C)OC[C@@H](CO/C(O)=C/[N+]#N)O1
InChIInChI=1S/C8H12N2O4/c1-8(2)13-5-6(14-8)4-12-7(11)3-10-9/h3,6H,4-5H2,1-2H3/p+1/b7-3+/t6-/m1/s1
InChIKeyGSLNKZGGVBLVKW-BTJAISLDSA-O
MW201.20 g/mol
LogP1.36
Rot. Bonds3

About (E)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-hydroxyethenediazonium

(E)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-hydroxyethenediazonium (PubChem CID 10013018) has the molecular formula C8H13N2O4+ and a molecular weight of 201.20 g/mol. Its IUPAC name is (E)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-hydroxyethenediazonium.

Molecular Properties

Compound Name(E)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-hydroxyethenediazonium
PubChem CID10013018
Molecular FormulaC8H13N2O4+
Molecular Weight201.20 g/mol
Exact Mass201.09
IUPAC Name(E)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-hydroxyethenediazonium
SMILESCC1(C)OC[C@@H](CO/C(O)=C/[N+]#N)O1
InChIInChI=1S/C8H12N2O4/c1-8(2)13-5-6(14-8)4-12-7(11)3-10-9/h3,6H,4-5H2,1-2H3/p+1/b7-3+/t6-/m1/s1
InChIKeyGSLNKZGGVBLVKW-BTJAISLDSA-O
XLogP1.36
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxymethanethioic S-acid
CID 145333613
2,2-dimethyl-4-(methylsulfanyloxymethyl)-1,3-dioxolane
CID 126562588
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethyl]amino]acetate
CID 132839018
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-methoxyacetate
CID 91593989
bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] benzene-1,2-dicarboxylate
CID 165344136
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-propylpentanoate;ethane
CID 142383371
2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]acetic acid
CID 146446180
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 1-methylcyclohexane-1-carboxylate
CID 54127614
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]ethoxy]acetate
CID 163831813
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-ethylsulfanylacetate
CID 144775228
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-(4-hydroxyphenyl)prop-2-enoate
CID 162887028
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633

Frequently Asked Questions

What is the IUPAC name of (E)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-hydroxyethenediazonium?
The IUPAC name of (E)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-hydroxyethenediazonium (CID 10013018) is (E)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-hydroxyethenediazonium.
What is the SMILES notation for (E)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-hydroxyethenediazonium?
The canonical SMILES for (E)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-hydroxyethenediazonium is CC1(C)OC[C@@H](CO/C(O)=C/[N+]#N)O1.
What is the InChIKey of (E)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-hydroxyethenediazonium?
The InChIKey is GSLNKZGGVBLVKW-BTJAISLDSA-O. The full InChI is InChI=1S/C8H12N2O4/c1-8(2)13-5-6(14-8)4-12-7(11)3-10-9/h3,6H,4-5H2,1-2H3/p+1/b7-3+/t6-/m1/s1.
What are the key properties of (E)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-hydroxyethenediazonium?
(E)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-hydroxyethenediazonium has a molecular weight of 201.20 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-hydroxyethenediazonium is sourced from PubChem (CID 10013018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).