4-ethyl-2-propoxynon-1-ene

C14H28O — CID 156639952

IUPAC4-ethyl-2-propoxynon-1-ene
SMILESC=C(CC(CC)CCCCC)OCCC
InChIInChI=1S/C14H28O/c1-5-8-9-10-14(7-3)12-13(4)15-11-6-2/h14H,4-12H2,1-3H3
InChIKeyJYZOXFSBMJKWPZ-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.92
Rot. Bonds10

About 4-ethyl-2-propoxynon-1-ene

4-ethyl-2-propoxynon-1-ene (PubChem CID 156639952) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 4-ethyl-2-propoxynon-1-ene.

Molecular Properties

Compound Name4-ethyl-2-propoxynon-1-ene
PubChem CID156639952
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name4-ethyl-2-propoxynon-1-ene
SMILESC=C(CC(CC)CCCCC)OCCC
InChIInChI=1S/C14H28O/c1-5-8-9-10-14(7-3)12-13(4)15-11-6-2/h14H,4-12H2,1-3H3
InChIKeyJYZOXFSBMJKWPZ-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-(4-ethyldec-1-en-2-ylsulfanyl)prop-1-en-2-amine
CID 166859086
2-(4-ethyl-2-methylideneoctanoyl)oxyethyl 4-ethyl-2-methylideneoctanoate
CID 87287852
dipropyl 3-ethylpentadecanedioate
CID 87116474
dipropyl 3-ethylicosanedioate
CID 87117792
5-ethyloctadecyl 2-methylprop-2-enoate
CID 87137443
dioctyl 3-ethyltridecanedioate
CID 87117223
3-ethylpentacosane
CID 22224239
3-ethylicosane
CID 528487
3-ethyloctane;propane
CID 143682929
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-propoxynon-1-ene?
The IUPAC name of 4-ethyl-2-propoxynon-1-ene (CID 156639952) is 4-ethyl-2-propoxynon-1-ene.
What is the SMILES notation for 4-ethyl-2-propoxynon-1-ene?
The canonical SMILES for 4-ethyl-2-propoxynon-1-ene is C=C(CC(CC)CCCCC)OCCC.
What is the InChIKey of 4-ethyl-2-propoxynon-1-ene?
The InChIKey is JYZOXFSBMJKWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-5-8-9-10-14(7-3)12-13(4)15-11-6-2/h14H,4-12H2,1-3H3.
What are the key properties of 4-ethyl-2-propoxynon-1-ene?
4-ethyl-2-propoxynon-1-ene has a molecular weight of 212.38 g/mol, XLogP of 4.92, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-propoxynon-1-ene is sourced from PubChem (CID 156639952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).