5-(2-methylpropoxy)-4-(2-methylpropoxymethyl)pent-1-ene

C14H28O2 — CID 176894797

IUPAC5-(2-methylpropoxy)-4-(2-methylpropoxymethyl)pent-1-ene
SMILESC=CCC(COCC(C)C)COCC(C)C
InChIInChI=1S/C14H28O2/c1-6-7-14(10-15-8-12(2)3)11-16-9-13(4)5/h6,12-14H,1,7-11H2,2-5H3
InChIKeyLOILUDVTVBNOKZ-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.52
Rot. Bonds10

About 5-(2-methylpropoxy)-4-(2-methylpropoxymethyl)pent-1-ene

5-(2-methylpropoxy)-4-(2-methylpropoxymethyl)pent-1-ene (PubChem CID 176894797) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 5-(2-methylpropoxy)-4-(2-methylpropoxymethyl)pent-1-ene.

Molecular Properties

Compound Name5-(2-methylpropoxy)-4-(2-methylpropoxymethyl)pent-1-ene
PubChem CID176894797
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name5-(2-methylpropoxy)-4-(2-methylpropoxymethyl)pent-1-ene
SMILESC=CCC(COCC(C)C)COCC(C)C
InChIInChI=1S/C14H28O2/c1-6-7-14(10-15-8-12(2)3)11-16-9-13(4)5/h6,12-14H,1,7-11H2,2-5H3
InChIKeyLOILUDVTVBNOKZ-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.52
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 5-(2-methylpropoxy)-4-(2-methylpropoxymethyl)pent-1-ene?
The IUPAC name of 5-(2-methylpropoxy)-4-(2-methylpropoxymethyl)pent-1-ene (CID 176894797) is 5-(2-methylpropoxy)-4-(2-methylpropoxymethyl)pent-1-ene.
What is the SMILES notation for 5-(2-methylpropoxy)-4-(2-methylpropoxymethyl)pent-1-ene?
The canonical SMILES for 5-(2-methylpropoxy)-4-(2-methylpropoxymethyl)pent-1-ene is C=CCC(COCC(C)C)COCC(C)C.
What is the InChIKey of 5-(2-methylpropoxy)-4-(2-methylpropoxymethyl)pent-1-ene?
The InChIKey is LOILUDVTVBNOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-6-7-14(10-15-8-12(2)3)11-16-9-13(4)5/h6,12-14H,1,7-11H2,2-5H3.
What are the key properties of 5-(2-methylpropoxy)-4-(2-methylpropoxymethyl)pent-1-ene?
5-(2-methylpropoxy)-4-(2-methylpropoxymethyl)pent-1-ene has a molecular weight of 228.38 g/mol, XLogP of 3.52, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropoxy)-4-(2-methylpropoxymethyl)pent-1-ene is sourced from PubChem (CID 176894797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).