5-propoxy-4-(propoxymethyl)pent-1-ene

C12H24O2 — CID 176894784

IUPAC5-propoxy-4-(propoxymethyl)pent-1-ene
SMILESC=CCC(COCCC)COCCC
InChIInChI=1S/C12H24O2/c1-4-7-12(10-13-8-5-2)11-14-9-6-3/h4,12H,1,5-11H2,2-3H3
InChIKeyJKLWXPCRRZLMPF-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.03
Rot. Bonds10

About 5-propoxy-4-(propoxymethyl)pent-1-ene

5-propoxy-4-(propoxymethyl)pent-1-ene (PubChem CID 176894784) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 5-propoxy-4-(propoxymethyl)pent-1-ene.

Molecular Properties

Compound Name5-propoxy-4-(propoxymethyl)pent-1-ene
PubChem CID176894784
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name5-propoxy-4-(propoxymethyl)pent-1-ene
SMILESC=CCC(COCCC)COCCC
InChIInChI=1S/C12H24O2/c1-4-7-12(10-13-8-5-2)11-14-9-6-3/h4,12H,1,5-11H2,2-3H3
InChIKeyJKLWXPCRRZLMPF-UHFFFAOYSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
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 5-propoxy-4-(propoxymethyl)pent-1-ene?
The IUPAC name of 5-propoxy-4-(propoxymethyl)pent-1-ene (CID 176894784) is 5-propoxy-4-(propoxymethyl)pent-1-ene.
What is the SMILES notation for 5-propoxy-4-(propoxymethyl)pent-1-ene?
The canonical SMILES for 5-propoxy-4-(propoxymethyl)pent-1-ene is C=CCC(COCCC)COCCC.
What is the InChIKey of 5-propoxy-4-(propoxymethyl)pent-1-ene?
The InChIKey is JKLWXPCRRZLMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-4-7-12(10-13-8-5-2)11-14-9-6-3/h4,12H,1,5-11H2,2-3H3.
What are the key properties of 5-propoxy-4-(propoxymethyl)pent-1-ene?
5-propoxy-4-(propoxymethyl)pent-1-ene has a molecular weight of 200.32 g/mol, XLogP of 3.03, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propoxy-4-(propoxymethyl)pent-1-ene is sourced from PubChem (CID 176894784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).