2,5-dibutyl-3-ethenyloxolane

C14H26O — CID 170458430

IUPAC2,5-dibutyl-3-ethenyloxolane
SMILESC=CC1CC(CCCC)OC1CCCC
InChIInChI=1S/C14H26O/c1-4-7-9-13-11-12(6-3)14(15-13)10-8-5-2/h6,12-14H,3-5,7-11H2,1-2H3
InChIKeyLPTLQDPSHYHWIX-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.33
Rot. Bonds7

About 2,5-dibutyl-3-ethenyloxolane

2,5-dibutyl-3-ethenyloxolane (PubChem CID 170458430) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 2,5-dibutyl-3-ethenyloxolane.

Molecular Properties

Compound Name2,5-dibutyl-3-ethenyloxolane
PubChem CID170458430
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name2,5-dibutyl-3-ethenyloxolane
SMILESC=CC1CC(CCCC)OC1CCCC
InChIInChI=1S/C14H26O/c1-4-7-9-13-11-12(6-3)14(15-13)10-8-5-2/h6,12-14H,3-5,7-11H2,1-2H3
InChIKeyLPTLQDPSHYHWIX-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,5-dibutyl-3-ethenyloxolane?
The IUPAC name of 2,5-dibutyl-3-ethenyloxolane (CID 170458430) is 2,5-dibutyl-3-ethenyloxolane.
What is the SMILES notation for 2,5-dibutyl-3-ethenyloxolane?
The canonical SMILES for 2,5-dibutyl-3-ethenyloxolane is C=CC1CC(CCCC)OC1CCCC.
What is the InChIKey of 2,5-dibutyl-3-ethenyloxolane?
The InChIKey is LPTLQDPSHYHWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-4-7-9-13-11-12(6-3)14(15-13)10-8-5-2/h6,12-14H,3-5,7-11H2,1-2H3.
What are the key properties of 2,5-dibutyl-3-ethenyloxolane?
2,5-dibutyl-3-ethenyloxolane has a molecular weight of 210.36 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibutyl-3-ethenyloxolane is sourced from PubChem (CID 170458430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).