5-butoxy-3-methylidene-2-pentyloxolane

C14H26O2 — CID 101189760

IUPAC5-butoxy-3-methylidene-2-pentyloxolane
SMILESC=C1CC(OCCCC)OC1CCCCC
InChIInChI=1S/C14H26O2/c1-4-6-8-9-13-12(3)11-14(16-13)15-10-7-5-2/h13-14H,3-11H2,1-2H3
InChIKeySCUAXSISFPHZBO-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.05
Rot. Bonds8

About 5-butoxy-3-methylidene-2-pentyloxolane

5-butoxy-3-methylidene-2-pentyloxolane (PubChem CID 101189760) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 5-butoxy-3-methylidene-2-pentyloxolane.

Molecular Properties

Compound Name5-butoxy-3-methylidene-2-pentyloxolane
PubChem CID101189760
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name5-butoxy-3-methylidene-2-pentyloxolane
SMILESC=C1CC(OCCCC)OC1CCCCC
InChIInChI=1S/C14H26O2/c1-4-6-8-9-13-12(3)11-14(16-13)15-10-7-5-2/h13-14H,3-11H2,1-2H3
InChIKeySCUAXSISFPHZBO-UHFFFAOYSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.05
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 5-butoxy-3-methylidene-2-pentyloxolane?
The IUPAC name of 5-butoxy-3-methylidene-2-pentyloxolane (CID 101189760) is 5-butoxy-3-methylidene-2-pentyloxolane.
What is the SMILES notation for 5-butoxy-3-methylidene-2-pentyloxolane?
The canonical SMILES for 5-butoxy-3-methylidene-2-pentyloxolane is C=C1CC(OCCCC)OC1CCCCC.
What is the InChIKey of 5-butoxy-3-methylidene-2-pentyloxolane?
The InChIKey is SCUAXSISFPHZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-6-8-9-13-12(3)11-14(16-13)15-10-7-5-2/h13-14H,3-11H2,1-2H3.
What are the key properties of 5-butoxy-3-methylidene-2-pentyloxolane?
5-butoxy-3-methylidene-2-pentyloxolane has a molecular weight of 226.36 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-3-methylidene-2-pentyloxolane is sourced from PubChem (CID 101189760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).