2-(3-methylidenepentoxy)oxane

C11H20O2 — CID 54142049

IUPAC2-(3-methylidenepentoxy)oxane
SMILESC=C(CC)CCOC1CCCCO1
InChIInChI=1S/C11H20O2/c1-3-10(2)7-9-13-11-6-4-5-8-12-11/h11H,2-9H2,1H3
InChIKeyOBTPJQYHWLFRJO-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.89
Rot. Bonds5

About 2-(3-methylidenepentoxy)oxane

2-(3-methylidenepentoxy)oxane (PubChem CID 54142049) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(3-methylidenepentoxy)oxane.

Molecular Properties

Compound Name2-(3-methylidenepentoxy)oxane
PubChem CID54142049
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-(3-methylidenepentoxy)oxane
SMILESC=C(CC)CCOC1CCCCO1
InChIInChI=1S/C11H20O2/c1-3-10(2)7-9-13-11-6-4-5-8-12-11/h11H,2-9H2,1H3
InChIKeyOBTPJQYHWLFRJO-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylidenepentoxy)oxane?
The IUPAC name of 2-(3-methylidenepentoxy)oxane (CID 54142049) is 2-(3-methylidenepentoxy)oxane.
What is the SMILES notation for 2-(3-methylidenepentoxy)oxane?
The canonical SMILES for 2-(3-methylidenepentoxy)oxane is C=C(CC)CCOC1CCCCO1.
What is the InChIKey of 2-(3-methylidenepentoxy)oxane?
The InChIKey is OBTPJQYHWLFRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-10(2)7-9-13-11-6-4-5-8-12-11/h11H,2-9H2,1H3.
What are the key properties of 2-(3-methylidenepentoxy)oxane?
2-(3-methylidenepentoxy)oxane has a molecular weight of 184.28 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylidenepentoxy)oxane is sourced from PubChem (CID 54142049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).