(Z)-2-[(4S,6R)-2-ethyl-4,6-dimethyl-1,3-dioxan-2-yl]-2-hydroxyethenediazonium

C10H17N2O3+ — CID 11160168

IUPAC(Z)-2-[(4S,6R)-2-ethyl-4,6-dimethyl-1,3-dioxan-2-yl]-2-hydroxyethenediazonium
SMILESCCC1(/C(O)=C/[N+]#N)O[C@H](C)C[C@H](C)O1
InChIInChI=1S/C10H16N2O3/c1-4-10(9(13)6-12-11)14-7(2)5-8(3)15-10/h6-8H,4-5H2,1-3H3/p+1/b9-6-/t7-,8+,10?
InChIKeyHUQQGXRPVVKHLI-YMEPVGJBSA-O
MW213.26 g/mol
LogP2.56
Rot. Bonds2

About (Z)-2-[(4S,6R)-2-ethyl-4,6-dimethyl-1,3-dioxan-2-yl]-2-hydroxyethenediazonium

(Z)-2-[(4S,6R)-2-ethyl-4,6-dimethyl-1,3-dioxan-2-yl]-2-hydroxyethenediazonium (PubChem CID 11160168) has the molecular formula C10H17N2O3+ and a molecular weight of 213.26 g/mol. Its IUPAC name is (Z)-2-[(4S,6R)-2-ethyl-4,6-dimethyl-1,3-dioxan-2-yl]-2-hydroxyethenediazonium.

Molecular Properties

Compound Name(Z)-2-[(4S,6R)-2-ethyl-4,6-dimethyl-1,3-dioxan-2-yl]-2-hydroxyethenediazonium
PubChem CID11160168
Molecular FormulaC10H17N2O3+
Molecular Weight213.26 g/mol
Exact Mass213.12
IUPAC Name(Z)-2-[(4S,6R)-2-ethyl-4,6-dimethyl-1,3-dioxan-2-yl]-2-hydroxyethenediazonium
SMILESCCC1(/C(O)=C/[N+]#N)O[C@H](C)C[C@H](C)O1
InChIInChI=1S/C10H16N2O3/c1-4-10(9(13)6-12-11)14-7(2)5-8(3)15-10/h6-8H,4-5H2,1-3H3/p+1/b9-6-/t7-,8+,10?
InChIKeyHUQQGXRPVVKHLI-YMEPVGJBSA-O
XLogP2.56
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(4S,6R)-2-ethyl-4,6-dimethyl-1,3-dioxan-2-yl]-2-hydroxyethenediazonium?
The IUPAC name of (Z)-2-[(4S,6R)-2-ethyl-4,6-dimethyl-1,3-dioxan-2-yl]-2-hydroxyethenediazonium (CID 11160168) is (Z)-2-[(4S,6R)-2-ethyl-4,6-dimethyl-1,3-dioxan-2-yl]-2-hydroxyethenediazonium.
What is the SMILES notation for (Z)-2-[(4S,6R)-2-ethyl-4,6-dimethyl-1,3-dioxan-2-yl]-2-hydroxyethenediazonium?
The canonical SMILES for (Z)-2-[(4S,6R)-2-ethyl-4,6-dimethyl-1,3-dioxan-2-yl]-2-hydroxyethenediazonium is CCC1(/C(O)=C/[N+]#N)O[C@H](C)C[C@H](C)O1.
What is the InChIKey of (Z)-2-[(4S,6R)-2-ethyl-4,6-dimethyl-1,3-dioxan-2-yl]-2-hydroxyethenediazonium?
The InChIKey is HUQQGXRPVVKHLI-YMEPVGJBSA-O. The full InChI is InChI=1S/C10H16N2O3/c1-4-10(9(13)6-12-11)14-7(2)5-8(3)15-10/h6-8H,4-5H2,1-3H3/p+1/b9-6-/t7-,8+,10?.
What are the key properties of (Z)-2-[(4S,6R)-2-ethyl-4,6-dimethyl-1,3-dioxan-2-yl]-2-hydroxyethenediazonium?
(Z)-2-[(4S,6R)-2-ethyl-4,6-dimethyl-1,3-dioxan-2-yl]-2-hydroxyethenediazonium has a molecular weight of 213.26 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(4S,6R)-2-ethyl-4,6-dimethyl-1,3-dioxan-2-yl]-2-hydroxyethenediazonium is sourced from PubChem (CID 11160168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).