2-(1-ethoxyethoxy)-4-methylpent-3-enenitrile

C10H17NO2 — CID 71391869

IUPAC2-(1-ethoxyethoxy)-4-methylpent-3-enenitrile
SMILESCCOC(C)OC(C#N)C=C(C)C
InChIInChI=1S/C10H17NO2/c1-5-12-9(4)13-10(7-11)6-8(2)3/h6,9-10H,5H2,1-4H3
InChIKeyWQRUUWKTIHOKIY-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.24
Rot. Bonds5

About 2-(1-ethoxyethoxy)-4-methylpent-3-enenitrile

2-(1-ethoxyethoxy)-4-methylpent-3-enenitrile (PubChem CID 71391869) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(1-ethoxyethoxy)-4-methylpent-3-enenitrile.

Molecular Properties

Compound Name2-(1-ethoxyethoxy)-4-methylpent-3-enenitrile
PubChem CID71391869
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-(1-ethoxyethoxy)-4-methylpent-3-enenitrile
SMILESCCOC(C)OC(C#N)C=C(C)C
InChIInChI=1S/C10H17NO2/c1-5-12-9(4)13-10(7-11)6-8(2)3/h6,9-10H,5H2,1-4H3
InChIKeyWQRUUWKTIHOKIY-UHFFFAOYSA-N
XLogP2.24
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

(3E)-2-(1-ethoxyethoxy)-4,8-dimethylnona-3,7-dienenitrile
CID 10868752
1,1-diethoxyethane
CID 7765
1,1-diethoxyethane;stannane
CID 87529398
1,1-diethoxyethane;sulfane
CID 87563963
(5E,9E)-11-chloro-2-(1-ethoxyethoxy)-5,9-dimethylundeca-5,9-dienenitrile
CID 10710346
4-ethoxy-3,3,6-trimethylhept-5-enenitrile
CID 154137270
carbonic acid;1,1-diethoxyethane
CID 87827362
1,1-diethoxyethane;ethene;2-(oxomethylidene)propanedinitrile
CID 87682649
(2S)-2-[(1R)-1-ethoxyethoxy]propan-1-ol
CID 101001545
1,1-diethoxyethane;N-methylmethanamine
CID 90073696
1-ethoxy-1-[1-(1-ethoxyethoxymethoxy)ethoxymethoxy]ethane
CID 161169297
cyclopropane;1,1-diethoxyethane
CID 67020569

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethoxy)-4-methylpent-3-enenitrile?
The IUPAC name of 2-(1-ethoxyethoxy)-4-methylpent-3-enenitrile (CID 71391869) is 2-(1-ethoxyethoxy)-4-methylpent-3-enenitrile.
What is the SMILES notation for 2-(1-ethoxyethoxy)-4-methylpent-3-enenitrile?
The canonical SMILES for 2-(1-ethoxyethoxy)-4-methylpent-3-enenitrile is CCOC(C)OC(C#N)C=C(C)C.
What is the InChIKey of 2-(1-ethoxyethoxy)-4-methylpent-3-enenitrile?
The InChIKey is WQRUUWKTIHOKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-12-9(4)13-10(7-11)6-8(2)3/h6,9-10H,5H2,1-4H3.
What are the key properties of 2-(1-ethoxyethoxy)-4-methylpent-3-enenitrile?
2-(1-ethoxyethoxy)-4-methylpent-3-enenitrile has a molecular weight of 183.25 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethoxy)-4-methylpent-3-enenitrile is sourced from PubChem (CID 71391869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).