2-(2-ethoxyethoxy)-2-undec-10-enylpropanedinitrile

C18H30N2O2 — CID 102057660

IUPAC2-(2-ethoxyethoxy)-2-undec-10-enylpropanedinitrile
SMILESC=CCCCCCCCCCC(C#N)(C#N)OCCOCC
InChIInChI=1S/C18H30N2O2/c1-3-5-6-7-8-9-10-11-12-13-18(16-19,17-20)22-15-14-21-4-2/h3H,1,4-15H2,2H3
InChIKeySGOUMQKRJAKIBB-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.52
Rot. Bonds15

About 2-(2-ethoxyethoxy)-2-undec-10-enylpropanedinitrile

2-(2-ethoxyethoxy)-2-undec-10-enylpropanedinitrile (PubChem CID 102057660) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-2-undec-10-enylpropanedinitrile.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-2-undec-10-enylpropanedinitrile
PubChem CID102057660
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name2-(2-ethoxyethoxy)-2-undec-10-enylpropanedinitrile
SMILESC=CCCCCCCCCCC(C#N)(C#N)OCCOCC
InChIInChI=1S/C18H30N2O2/c1-3-5-6-7-8-9-10-11-12-13-18(16-19,17-20)22-15-14-21-4-2/h3H,1,4-15H2,2H3
InChIKeySGOUMQKRJAKIBB-UHFFFAOYSA-N
XLogP4.52
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

11-(2-ethoxyethoxy)undec-1-ene
CID 142718569
11-[2-(2-ethoxyethoxy)ethoxy]undec-1-ene
CID 142718592
2-(2-ethoxyethyl)-2-undec-10-enyltridec-12-enoic acid
CID 87866070
2-butyl-2-icos-19-enyldocos-21-enenitrile
CID 101479739
4-ethoxybut-1-ene
CID 533994
1-ethoxy-N-ethylnon-8-en-2-amine
CID 107009273
6-(methoxymethoxy)hex-1-ene
CID 14631669
3-ethylundec-10-en-3-yloxysilane
CID 173196898
12-dodec-11-enoxydodec-1-ene
CID 87325659
1,2-diethoxyethane;ethenamine
CID 160675526
7-fluoro-7-methyloct-1-ene
CID 87159398
heptacosa-1,26-diene
CID 58905535

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-2-undec-10-enylpropanedinitrile?
The IUPAC name of 2-(2-ethoxyethoxy)-2-undec-10-enylpropanedinitrile (CID 102057660) is 2-(2-ethoxyethoxy)-2-undec-10-enylpropanedinitrile.
What is the SMILES notation for 2-(2-ethoxyethoxy)-2-undec-10-enylpropanedinitrile?
The canonical SMILES for 2-(2-ethoxyethoxy)-2-undec-10-enylpropanedinitrile is C=CCCCCCCCCCC(C#N)(C#N)OCCOCC.
What is the InChIKey of 2-(2-ethoxyethoxy)-2-undec-10-enylpropanedinitrile?
The InChIKey is SGOUMQKRJAKIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-3-5-6-7-8-9-10-11-12-13-18(16-19,17-20)22-15-14-21-4-2/h3H,1,4-15H2,2H3.
What are the key properties of 2-(2-ethoxyethoxy)-2-undec-10-enylpropanedinitrile?
2-(2-ethoxyethoxy)-2-undec-10-enylpropanedinitrile has a molecular weight of 306.45 g/mol, XLogP of 4.52, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-2-undec-10-enylpropanedinitrile is sourced from PubChem (CID 102057660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).