6-(2-methoxyethoxy)hex-1-ene

C9H18O2 — CID 55274315

IUPAC6-(2-methoxyethoxy)hex-1-ene
SMILESC=CCCCCOCCOC
InChIInChI=1S/C9H18O2/c1-3-4-5-6-7-11-9-8-10-2/h3H,1,4-9H2,2H3
InChIKeyDHUGSIYESDUAAC-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.01
Rot. Bonds8

About 6-(2-methoxyethoxy)hex-1-ene

6-(2-methoxyethoxy)hex-1-ene (PubChem CID 55274315) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)hex-1-ene.

Molecular Properties

Compound Name6-(2-methoxyethoxy)hex-1-ene
PubChem CID55274315
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name6-(2-methoxyethoxy)hex-1-ene
SMILESC=CCCCCOCCOC
InChIInChI=1S/C9H18O2/c1-3-4-5-6-7-11-9-8-10-2/h3H,1,4-9H2,2H3
InChIKeyDHUGSIYESDUAAC-UHFFFAOYSA-N
XLogP2.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.01
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 6-(2-methoxyethoxy)hex-1-ene?
The IUPAC name of 6-(2-methoxyethoxy)hex-1-ene (CID 55274315) is 6-(2-methoxyethoxy)hex-1-ene.
What is the SMILES notation for 6-(2-methoxyethoxy)hex-1-ene?
The canonical SMILES for 6-(2-methoxyethoxy)hex-1-ene is C=CCCCCOCCOC.
What is the InChIKey of 6-(2-methoxyethoxy)hex-1-ene?
The InChIKey is DHUGSIYESDUAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-4-5-6-7-11-9-8-10-2/h3H,1,4-9H2,2H3.
What are the key properties of 6-(2-methoxyethoxy)hex-1-ene?
6-(2-methoxyethoxy)hex-1-ene has a molecular weight of 158.24 g/mol, XLogP of 2.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)hex-1-ene is sourced from PubChem (CID 55274315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).