5-methoxy-4-(methoxymethyl)hex-1-ene

C9H18O2 — CID 89049171

IUPAC5-methoxy-4-(methoxymethyl)hex-1-ene
SMILESC=CCC(COC)C(C)OC
InChIInChI=1S/C9H18O2/c1-5-6-9(7-10-3)8(2)11-4/h5,8-9H,1,6-7H2,2-4H3
InChIKeyOPUGSIDXXTWGHY-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.86
Rot. Bonds6

About 5-methoxy-4-(methoxymethyl)hex-1-ene

5-methoxy-4-(methoxymethyl)hex-1-ene (PubChem CID 89049171) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 5-methoxy-4-(methoxymethyl)hex-1-ene.

Molecular Properties

Compound Name5-methoxy-4-(methoxymethyl)hex-1-ene
PubChem CID89049171
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name5-methoxy-4-(methoxymethyl)hex-1-ene
SMILESC=CCC(COC)C(C)OC
InChIInChI=1S/C9H18O2/c1-5-6-9(7-10-3)8(2)11-4/h5,8-9H,1,6-7H2,2-4H3
InChIKeyOPUGSIDXXTWGHY-UHFFFAOYSA-N
XLogP1.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.86
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-methoxy-4-(methoxymethyl)hex-1-ene?
The IUPAC name of 5-methoxy-4-(methoxymethyl)hex-1-ene (CID 89049171) is 5-methoxy-4-(methoxymethyl)hex-1-ene.
What is the SMILES notation for 5-methoxy-4-(methoxymethyl)hex-1-ene?
The canonical SMILES for 5-methoxy-4-(methoxymethyl)hex-1-ene is C=CCC(COC)C(C)OC.
What is the InChIKey of 5-methoxy-4-(methoxymethyl)hex-1-ene?
The InChIKey is OPUGSIDXXTWGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-5-6-9(7-10-3)8(2)11-4/h5,8-9H,1,6-7H2,2-4H3.
What are the key properties of 5-methoxy-4-(methoxymethyl)hex-1-ene?
5-methoxy-4-(methoxymethyl)hex-1-ene has a molecular weight of 158.24 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(methoxymethyl)hex-1-ene is sourced from PubChem (CID 89049171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).