3-[2-(2-ethylbut-1-enoxy)propoxymethylidene]pentane

C15H28O2 — CID 91563416

IUPAC3-[2-(2-ethylbut-1-enoxy)propoxymethylidene]pentane
SMILESCCC(=COCC(C)OC=C(CC)CC)CC
InChIInChI=1S/C15H28O2/c1-6-14(7-2)11-16-10-13(5)17-12-15(8-3)9-4/h11-13H,6-10H2,1-5H3
InChIKeyOFVSGOLNJAMNRQ-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.82
Rot. Bonds9

About 3-[2-(2-ethylbut-1-enoxy)propoxymethylidene]pentane

3-[2-(2-ethylbut-1-enoxy)propoxymethylidene]pentane (PubChem CID 91563416) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-[2-(2-ethylbut-1-enoxy)propoxymethylidene]pentane.

Molecular Properties

Compound Name3-[2-(2-ethylbut-1-enoxy)propoxymethylidene]pentane
PubChem CID91563416
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name3-[2-(2-ethylbut-1-enoxy)propoxymethylidene]pentane
SMILESCCC(=COCC(C)OC=C(CC)CC)CC
InChIInChI=1S/C15H28O2/c1-6-14(7-2)11-16-10-13(5)17-12-15(8-3)9-4/h11-13H,6-10H2,1-5H3
InChIKeyOFVSGOLNJAMNRQ-UHFFFAOYSA-N
XLogP4.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(2-methoxyethoxy)-2-methylbut-1-ene
CID 22234786
3-(2-Butoxyethoxymethylidene)pentane
CID 22234796
(E)-1-(2-ethoxyethoxy)-2-methylbut-1-ene
CID 22234804
3-(Propan-2-yloxymethylidene)pentane
CID 22234810
(E)-2-methyl-1-propan-2-yloxybut-1-ene
CID 22234812
3-(2-Methoxyethoxymethylidene)pentane
CID 22234816
3-(2-Ethoxyethoxymethylidene)pentane
CID 22234834
3-[(2-Methylpropan-2-yl)oxymethylidene]pentane
CID 22234839
1-(2-Methoxyethoxy)-2-methylbut-1-ene
CID 73877091
1-(2-Ethoxyethoxy)-2-methylbut-1-ene
CID 73877097
2-Methyl-1-propan-2-yloxybut-1-ene
CID 73877098
2-Methyl-1-[2-(2-methylprop-1-enoxy)propoxy]prop-1-ene
CID 87658950

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethylbut-1-enoxy)propoxymethylidene]pentane?
The IUPAC name of 3-[2-(2-ethylbut-1-enoxy)propoxymethylidene]pentane (CID 91563416) is 3-[2-(2-ethylbut-1-enoxy)propoxymethylidene]pentane.
What is the SMILES notation for 3-[2-(2-ethylbut-1-enoxy)propoxymethylidene]pentane?
The canonical SMILES for 3-[2-(2-ethylbut-1-enoxy)propoxymethylidene]pentane is CCC(=COCC(C)OC=C(CC)CC)CC.
What is the InChIKey of 3-[2-(2-ethylbut-1-enoxy)propoxymethylidene]pentane?
The InChIKey is OFVSGOLNJAMNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-6-14(7-2)11-16-10-13(5)17-12-15(8-3)9-4/h11-13H,6-10H2,1-5H3.
What are the key properties of 3-[2-(2-ethylbut-1-enoxy)propoxymethylidene]pentane?
3-[2-(2-ethylbut-1-enoxy)propoxymethylidene]pentane has a molecular weight of 240.39 g/mol, XLogP of 4.82, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethylbut-1-enoxy)propoxymethylidene]pentane is sourced from PubChem (CID 91563416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).