2-(4-cyclopropylidenebutoxy)oxane

C12H20O2 — CID 558915

IUPAC2-(4-cyclopropylidenebutoxy)oxane
SMILESC(CCCOC1CCCCO1)=C1CC1
InChIInChI=1S/C12H20O2/c1(5-11-7-8-11)3-9-13-12-6-2-4-10-14-12/h5,12H,1-4,6-10H2
InChIKeyZYZFBNAJVAWYNL-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.03
Rot. Bonds5

About 2-(4-cyclopropylidenebutoxy)oxane

2-(4-cyclopropylidenebutoxy)oxane (PubChem CID 558915) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(4-cyclopropylidenebutoxy)oxane.

Molecular Properties

Compound Name2-(4-cyclopropylidenebutoxy)oxane
PubChem CID558915
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-(4-cyclopropylidenebutoxy)oxane
SMILESC(CCCOC1CCCCO1)=C1CC1
InChIInChI=1S/C12H20O2/c1(5-11-7-8-11)3-9-13-12-6-2-4-10-14-12/h5,12H,1-4,6-10H2
InChIKeyZYZFBNAJVAWYNL-UHFFFAOYSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylidenebutoxy)oxane?
The IUPAC name of 2-(4-cyclopropylidenebutoxy)oxane (CID 558915) is 2-(4-cyclopropylidenebutoxy)oxane.
What is the SMILES notation for 2-(4-cyclopropylidenebutoxy)oxane?
The canonical SMILES for 2-(4-cyclopropylidenebutoxy)oxane is C(CCCOC1CCCCO1)=C1CC1.
What is the InChIKey of 2-(4-cyclopropylidenebutoxy)oxane?
The InChIKey is ZYZFBNAJVAWYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1(5-11-7-8-11)3-9-13-12-6-2-4-10-14-12/h5,12H,1-4,6-10H2.
What are the key properties of 2-(4-cyclopropylidenebutoxy)oxane?
2-(4-cyclopropylidenebutoxy)oxane has a molecular weight of 196.29 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylidenebutoxy)oxane is sourced from PubChem (CID 558915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).