3-(2-butoxyethoxymethylidene)pentane

C12H24O2 — CID 22234796

IUPAC3-(2-butoxyethoxymethylidene)pentane
SMILESCCCCOCCOC=C(CC)CC
InChIInChI=1S/C12H24O2/c1-4-7-8-13-9-10-14-11-12(5-2)6-3/h11H,4-10H2,1-3H3
InChIKeyLVQNBKNQKRWGPU-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.52
Rot. Bonds9

About 3-(2-butoxyethoxymethylidene)pentane

3-(2-butoxyethoxymethylidene)pentane (PubChem CID 22234796) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3-(2-butoxyethoxymethylidene)pentane.

Molecular Properties

Compound Name3-(2-butoxyethoxymethylidene)pentane
PubChem CID22234796
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name3-(2-butoxyethoxymethylidene)pentane
SMILESCCCCOCCOC=C(CC)CC
InChIInChI=1S/C12H24O2/c1-4-7-8-13-9-10-14-11-12(5-2)6-3/h11H,4-10H2,1-3H3
InChIKeyLVQNBKNQKRWGPU-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.52
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethoxymethylidene)pentane?
The IUPAC name of 3-(2-butoxyethoxymethylidene)pentane (CID 22234796) is 3-(2-butoxyethoxymethylidene)pentane.
What is the SMILES notation for 3-(2-butoxyethoxymethylidene)pentane?
The canonical SMILES for 3-(2-butoxyethoxymethylidene)pentane is CCCCOCCOC=C(CC)CC.
What is the InChIKey of 3-(2-butoxyethoxymethylidene)pentane?
The InChIKey is LVQNBKNQKRWGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-4-7-8-13-9-10-14-11-12(5-2)6-3/h11H,4-10H2,1-3H3.
What are the key properties of 3-(2-butoxyethoxymethylidene)pentane?
3-(2-butoxyethoxymethylidene)pentane has a molecular weight of 200.32 g/mol, XLogP of 3.52, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethoxymethylidene)pentane is sourced from PubChem (CID 22234796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).