2-(2,2-dimethoxyethyl)propanedinitrile

C7H10N2O2 — CID 11008134

IUPAC2-(2,2-dimethoxyethyl)propanedinitrile
SMILESCOC(CC(C#N)C#N)OC
InChIInChI=1S/C7H10N2O2/c1-10-7(11-2)3-6(4-8)5-9/h6-7H,3H2,1-2H3
InChIKeyCRWRTTJQGXBYEJ-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.66
Rot. Bonds4

About 2-(2,2-dimethoxyethyl)propanedinitrile

2-(2,2-dimethoxyethyl)propanedinitrile (PubChem CID 11008134) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(2,2-dimethoxyethyl)propanedinitrile.

Molecular Properties

Compound Name2-(2,2-dimethoxyethyl)propanedinitrile
PubChem CID11008134
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-(2,2-dimethoxyethyl)propanedinitrile
SMILESCOC(CC(C#N)C#N)OC
InChIInChI=1S/C7H10N2O2/c1-10-7(11-2)3-6(4-8)5-9/h6-7H,3H2,1-2H3
InChIKeyCRWRTTJQGXBYEJ-UHFFFAOYSA-N
XLogP0.66
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 172716670
CID 172716670
2-[2-(dimethylamino)ethylamino]-4,4-dimethoxybutanenitrile
CID 66270339
(2S)-2,3-dimethoxypropanenitrile
CID 92976102
2-(cyclohexylamino)-4,4-dimethoxybutanenitrile
CID 66269206
2-[2-(diethylamino)ethylamino]-4,4-dimethoxybutanenitrile
CID 66270526
(2S)-2-methoxy-3-methylbutanenitrile
CID 97030930
3-chloro-1,1-dimethoxybutane
CID 119097582
4,4-dimethoxy-2-(2-methylanilino)butanenitrile
CID 66269954
CID 59090951
CID 59090951
2-(2,2-dimethoxyethoxy)-1,1-dimethoxyethane;hydrate
CID 131726685
2-[(2S,3S)-3-(2-fluorophenyl)-2-methoxybutyl]propanedinitrile
CID 126733705
2-[cyanomethyl(2,2-dimethoxyethyl)amino]acetonitrile
CID 66222758

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethoxyethyl)propanedinitrile?
The IUPAC name of 2-(2,2-dimethoxyethyl)propanedinitrile (CID 11008134) is 2-(2,2-dimethoxyethyl)propanedinitrile.
What is the SMILES notation for 2-(2,2-dimethoxyethyl)propanedinitrile?
The canonical SMILES for 2-(2,2-dimethoxyethyl)propanedinitrile is COC(CC(C#N)C#N)OC.
What is the InChIKey of 2-(2,2-dimethoxyethyl)propanedinitrile?
The InChIKey is CRWRTTJQGXBYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-10-7(11-2)3-6(4-8)5-9/h6-7H,3H2,1-2H3.
What are the key properties of 2-(2,2-dimethoxyethyl)propanedinitrile?
2-(2,2-dimethoxyethyl)propanedinitrile has a molecular weight of 154.17 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethoxyethyl)propanedinitrile is sourced from PubChem (CID 11008134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).