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

C15H28O2 — CID 91103741

IUPAC3-[3-(2-ethylbut-1-enoxy)propoxymethylidene]pentane
SMILESCCC(=COCCCOC=C(CC)CC)CC
InChIInChI=1S/C15H28O2/c1-5-14(6-2)12-16-10-9-11-17-13-15(7-3)8-4/h12-13H,5-11H2,1-4H3
InChIKeyXWJXXANSGMMOKP-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.82
Rot. Bonds10

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

3-[3-(2-ethylbut-1-enoxy)propoxymethylidene]pentane (PubChem CID 91103741) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-[3-(2-ethylbut-1-enoxy)propoxymethylidene]pentane.

Molecular Properties

Compound Name3-[3-(2-ethylbut-1-enoxy)propoxymethylidene]pentane
PubChem CID91103741
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name3-[3-(2-ethylbut-1-enoxy)propoxymethylidene]pentane
SMILESCCC(=COCCCOC=C(CC)CC)CC
InChIInChI=1S/C15H28O2/c1-5-14(6-2)12-16-10-9-11-17-13-15(7-3)8-4/h12-13H,5-11H2,1-4H3
InChIKeyXWJXXANSGMMOKP-UHFFFAOYSA-N
XLogP4.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(butoxymethylidene)pentane
CID 22234811
1-(2-ethylhex-1-enoxy)decane
CID 166758323
3-(2-ethylbut-1-enoxymethylidene)pentane
CID 69017814
2-(2-ethylbut-1-enoxymethyl)-2-(hydroxymethyl)propane-1,3-diol
CID 151258676
1-(2-methylprop-1-enoxy)heptane
CID 22234809
1-pentoxyprop-1-en-2-ol
CID 173004017
(E)-4-[2-(2-ethylhex-1-enoxy)ethoxy]-4-oxobut-2-enoic acid
CID 87835598
2-methyl-1-propoxybut-1-ene
CID 91198308
2-(butoxymethylidene)propanedioic acid
CID 149150850
tris[3-(2-methylprop-1-enoxy)propyl] phosphate
CID 151388000
1-(3-methyl-2-propan-2-ylbut-1-enoxy)decane
CID 150995067
11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane
CID 162425525

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-ethylbut-1-enoxy)propoxymethylidene]pentane?
The IUPAC name of 3-[3-(2-ethylbut-1-enoxy)propoxymethylidene]pentane (CID 91103741) is 3-[3-(2-ethylbut-1-enoxy)propoxymethylidene]pentane.
What is the SMILES notation for 3-[3-(2-ethylbut-1-enoxy)propoxymethylidene]pentane?
The canonical SMILES for 3-[3-(2-ethylbut-1-enoxy)propoxymethylidene]pentane is CCC(=COCCCOC=C(CC)CC)CC.
What is the InChIKey of 3-[3-(2-ethylbut-1-enoxy)propoxymethylidene]pentane?
The InChIKey is XWJXXANSGMMOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-5-14(6-2)12-16-10-9-11-17-13-15(7-3)8-4/h12-13H,5-11H2,1-4H3.
What are the key properties of 3-[3-(2-ethylbut-1-enoxy)propoxymethylidene]pentane?
3-[3-(2-ethylbut-1-enoxy)propoxymethylidene]pentane has a molecular weight of 240.39 g/mol, XLogP of 4.82, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-ethylbut-1-enoxy)propoxymethylidene]pentane is sourced from PubChem (CID 91103741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).