2-(methoxymethoxy)-2-[(1R)-1-(2-methylphenyl)prop-2-enyl]propanedinitrile

C15H16N2O2 — CID 132610102

IUPAC2-(methoxymethoxy)-2-[(1R)-1-(2-methylphenyl)prop-2-enyl]propanedinitrile
SMILESC=C[C@H](c1ccccc1C)C(C#N)(C#N)OCOC
InChIInChI=1S/C15H16N2O2/c1-4-14(13-8-6-5-7-12(13)2)15(9-16,10-17)19-11-18-3/h4-8,14H,1,11H2,2-3H3/t14-/m1/s1
InChIKeyRTYVLVQNOHHFBF-CQSZACIVSA-N
MW256.30 g/mol
LogP2.67
Rot. Bonds6

About 2-(methoxymethoxy)-2-[(1R)-1-(2-methylphenyl)prop-2-enyl]propanedinitrile

2-(methoxymethoxy)-2-[(1R)-1-(2-methylphenyl)prop-2-enyl]propanedinitrile (PubChem CID 132610102) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(methoxymethoxy)-2-[(1R)-1-(2-methylphenyl)prop-2-enyl]propanedinitrile.

Molecular Properties

Compound Name2-(methoxymethoxy)-2-[(1R)-1-(2-methylphenyl)prop-2-enyl]propanedinitrile
PubChem CID132610102
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name2-(methoxymethoxy)-2-[(1R)-1-(2-methylphenyl)prop-2-enyl]propanedinitrile
SMILESC=C[C@H](c1ccccc1C)C(C#N)(C#N)OCOC
InChIInChI=1S/C15H16N2O2/c1-4-14(13-8-6-5-7-12(13)2)15(9-16,10-17)19-11-18-3/h4-8,14H,1,11H2,2-3H3/t14-/m1/s1
InChIKeyRTYVLVQNOHHFBF-CQSZACIVSA-N
XLogP2.67
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethoxy)-2-[(1R)-1-(2-methylphenyl)prop-2-enyl]propanedinitrile?
The IUPAC name of 2-(methoxymethoxy)-2-[(1R)-1-(2-methylphenyl)prop-2-enyl]propanedinitrile (CID 132610102) is 2-(methoxymethoxy)-2-[(1R)-1-(2-methylphenyl)prop-2-enyl]propanedinitrile.
What is the SMILES notation for 2-(methoxymethoxy)-2-[(1R)-1-(2-methylphenyl)prop-2-enyl]propanedinitrile?
The canonical SMILES for 2-(methoxymethoxy)-2-[(1R)-1-(2-methylphenyl)prop-2-enyl]propanedinitrile is C=C[C@H](c1ccccc1C)C(C#N)(C#N)OCOC.
What is the InChIKey of 2-(methoxymethoxy)-2-[(1R)-1-(2-methylphenyl)prop-2-enyl]propanedinitrile?
The InChIKey is RTYVLVQNOHHFBF-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-4-14(13-8-6-5-7-12(13)2)15(9-16,10-17)19-11-18-3/h4-8,14H,1,11H2,2-3H3/t14-/m1/s1.
What are the key properties of 2-(methoxymethoxy)-2-[(1R)-1-(2-methylphenyl)prop-2-enyl]propanedinitrile?
2-(methoxymethoxy)-2-[(1R)-1-(2-methylphenyl)prop-2-enyl]propanedinitrile has a molecular weight of 256.30 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethoxy)-2-[(1R)-1-(2-methylphenyl)prop-2-enyl]propanedinitrile is sourced from PubChem (CID 132610102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).