4-methoxy-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene

C13H26O3 — CID 176894823

IUPAC4-methoxy-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene
SMILESC=CCC(COC(C)C)(COC(C)C)OC
InChIInChI=1S/C13H26O3/c1-7-8-13(14-6,9-15-11(2)3)10-16-12(4)5/h7,11-12H,1,8-10H2,2-6H3
InChIKeyFQEIHSUTOXDJME-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.80
Rot. Bonds9

About 4-methoxy-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene

4-methoxy-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene (PubChem CID 176894823) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-methoxy-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene.

Molecular Properties

Compound Name4-methoxy-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene
PubChem CID176894823
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name4-methoxy-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene
SMILESC=CCC(COC(C)C)(COC(C)C)OC
InChIInChI=1S/C13H26O3/c1-7-8-13(14-6,9-15-11(2)3)10-16-12(4)5/h7,11-12H,1,8-10H2,2-6H3
InChIKeyFQEIHSUTOXDJME-UHFFFAOYSA-N
XLogP2.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-methoxy-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene?
The IUPAC name of 4-methoxy-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene (CID 176894823) is 4-methoxy-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene.
What is the SMILES notation for 4-methoxy-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene?
The canonical SMILES for 4-methoxy-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene is C=CCC(COC(C)C)(COC(C)C)OC.
What is the InChIKey of 4-methoxy-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene?
The InChIKey is FQEIHSUTOXDJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-7-8-13(14-6,9-15-11(2)3)10-16-12(4)5/h7,11-12H,1,8-10H2,2-6H3.
What are the key properties of 4-methoxy-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene?
4-methoxy-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene has a molecular weight of 230.35 g/mol, XLogP of 2.80, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene is sourced from PubChem (CID 176894823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).