(3E)-2-(1-ethoxyethoxy)-4,8-dimethylnona-3,7-dienenitrile

C15H25NO2 — CID 10868752

IUPAC(3E)-2-(1-ethoxyethoxy)-4,8-dimethylnona-3,7-dienenitrile
SMILESCCOC(C)OC(C#N)/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H25NO2/c1-6-17-14(5)18-15(11-16)10-13(4)9-7-8-12(2)3/h8,10,14-15H,6-7,9H2,1-5H3/b13-10+
InChIKeySOWDLWXEDSYFHJ-JLHYYAGUSA-N
MW251.37 g/mol
LogP3.97
Rot. Bonds8

About (3E)-2-(1-ethoxyethoxy)-4,8-dimethylnona-3,7-dienenitrile

(3E)-2-(1-ethoxyethoxy)-4,8-dimethylnona-3,7-dienenitrile (PubChem CID 10868752) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (3E)-2-(1-ethoxyethoxy)-4,8-dimethylnona-3,7-dienenitrile.

Molecular Properties

Compound Name(3E)-2-(1-ethoxyethoxy)-4,8-dimethylnona-3,7-dienenitrile
PubChem CID10868752
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(3E)-2-(1-ethoxyethoxy)-4,8-dimethylnona-3,7-dienenitrile
SMILESCCOC(C)OC(C#N)/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H25NO2/c1-6-17-14(5)18-15(11-16)10-13(4)9-7-8-12(2)3/h8,10,14-15H,6-7,9H2,1-5H3/b13-10+
InChIKeySOWDLWXEDSYFHJ-JLHYYAGUSA-N
XLogP3.97
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.97
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

2-(1-ethoxyethoxy)-4-methylpent-3-enenitrile
CID 71391869
1-ethoxy-1-(1-ethoxyethoxy)ethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol
CID 173348329
(5E,9E)-11-chloro-2-(1-ethoxyethoxy)-5,9-dimethylundeca-5,9-dienenitrile
CID 10710346
(5E,9E)-2-(1-ethoxyethoxy)-11-hydroxy-4,5,9-trimethylundeca-5,9-dienenitrile
CID 10686333
2-(diethylamino)-4,8-dimethylnona-3,7-dienenitrile
CID 74039330
1,1-diethoxyethane;3,7-dimethylocta-2,6-dienal;propane-1,2,3-triol
CID 88617273
(6E)-8-ethyl-2,6-dimethyldeca-2,6-diene
CID 174724877
5-ethoxy-3,7,11-trimethyldodeca-2,6,10-trienal
CID 71324889
1-[1-(2-hydroxypropoxy)-3,7-dimethylocta-2,6-dienoxy]propan-2-ol
CID 53435769
(5Z)-1,1-diethoxy-6,10-dimethylundeca-5,9-dien-2-one
CID 13291922
(2Z)-1,1-bis[(3S)-3,7-dimethyloct-6-enoxy]-3,7-dimethylocta-2,6-diene
CID 87864001
(2S,3E)-2-[(E,1R)-1-hydroxybut-2-enyl]-4,8-dimethylnona-3,7-dienenitrile
CID 11806573

Frequently Asked Questions

What is the IUPAC name of (3E)-2-(1-ethoxyethoxy)-4,8-dimethylnona-3,7-dienenitrile?
The IUPAC name of (3E)-2-(1-ethoxyethoxy)-4,8-dimethylnona-3,7-dienenitrile (CID 10868752) is (3E)-2-(1-ethoxyethoxy)-4,8-dimethylnona-3,7-dienenitrile.
What is the SMILES notation for (3E)-2-(1-ethoxyethoxy)-4,8-dimethylnona-3,7-dienenitrile?
The canonical SMILES for (3E)-2-(1-ethoxyethoxy)-4,8-dimethylnona-3,7-dienenitrile is CCOC(C)OC(C#N)/C=C(\C)CCC=C(C)C.
What is the InChIKey of (3E)-2-(1-ethoxyethoxy)-4,8-dimethylnona-3,7-dienenitrile?
The InChIKey is SOWDLWXEDSYFHJ-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-17-14(5)18-15(11-16)10-13(4)9-7-8-12(2)3/h8,10,14-15H,6-7,9H2,1-5H3/b13-10+.
What are the key properties of (3E)-2-(1-ethoxyethoxy)-4,8-dimethylnona-3,7-dienenitrile?
(3E)-2-(1-ethoxyethoxy)-4,8-dimethylnona-3,7-dienenitrile has a molecular weight of 251.37 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-(1-ethoxyethoxy)-4,8-dimethylnona-3,7-dienenitrile is sourced from PubChem (CID 10868752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).