3-(2-ethylbut-1-enoxymethylidene)pentane

C12H22O — CID 69017814

IUPAC3-(2-ethylbut-1-enoxymethylidene)pentane
SMILESCCC(=COC=C(CC)CC)CC
InChIInChI=1S/C12H22O/c1-5-11(6-2)9-13-10-12(7-3)8-4/h9-10H,5-8H2,1-4H3
InChIKeyFTQPOXTVNBHCER-UHFFFAOYSA-N
MW182.31 g/mol
LogP4.41
Rot. Bonds6

About 3-(2-ethylbut-1-enoxymethylidene)pentane

3-(2-ethylbut-1-enoxymethylidene)pentane (PubChem CID 69017814) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-(2-ethylbut-1-enoxymethylidene)pentane.

Molecular Properties

Compound Name3-(2-ethylbut-1-enoxymethylidene)pentane
PubChem CID69017814
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name3-(2-ethylbut-1-enoxymethylidene)pentane
SMILESCCC(=COC=C(CC)CC)CC
InChIInChI=1S/C12H22O/c1-5-11(6-2)9-13-10-12(7-3)8-4/h9-10H,5-8H2,1-4H3
InChIKeyFTQPOXTVNBHCER-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbut-1-enoxymethylidene)pentane?
The IUPAC name of 3-(2-ethylbut-1-enoxymethylidene)pentane (CID 69017814) is 3-(2-ethylbut-1-enoxymethylidene)pentane.
What is the SMILES notation for 3-(2-ethylbut-1-enoxymethylidene)pentane?
The canonical SMILES for 3-(2-ethylbut-1-enoxymethylidene)pentane is CCC(=COC=C(CC)CC)CC.
What is the InChIKey of 3-(2-ethylbut-1-enoxymethylidene)pentane?
The InChIKey is FTQPOXTVNBHCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-5-11(6-2)9-13-10-12(7-3)8-4/h9-10H,5-8H2,1-4H3.
What are the key properties of 3-(2-ethylbut-1-enoxymethylidene)pentane?
3-(2-ethylbut-1-enoxymethylidene)pentane has a molecular weight of 182.31 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbut-1-enoxymethylidene)pentane is sourced from PubChem (CID 69017814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).