6-propoxyhex-1-ene

C9H18O — CID 23466867

IUPAC6-propoxyhex-1-ene
SMILESC=CCCCCOCCC
InChIInChI=1S/C9H18O/c1-3-5-6-7-9-10-8-4-2/h3H,1,4-9H2,2H3
InChIKeyNZDGFKGKIWGKMS-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.77
Rot. Bonds7

About 6-propoxyhex-1-ene

6-propoxyhex-1-ene (PubChem CID 23466867) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 6-propoxyhex-1-ene.

Molecular Properties

Compound Name6-propoxyhex-1-ene
PubChem CID23466867
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name6-propoxyhex-1-ene
SMILESC=CCCCCOCCC
InChIInChI=1S/C9H18O/c1-3-5-6-7-9-10-8-4-2/h3H,1,4-9H2,2H3
InChIKeyNZDGFKGKIWGKMS-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-propoxyhex-1-ene?
The IUPAC name of 6-propoxyhex-1-ene (CID 23466867) is 6-propoxyhex-1-ene.
What is the SMILES notation for 6-propoxyhex-1-ene?
The canonical SMILES for 6-propoxyhex-1-ene is C=CCCCCOCCC.
What is the InChIKey of 6-propoxyhex-1-ene?
The InChIKey is NZDGFKGKIWGKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-3-5-6-7-9-10-8-4-2/h3H,1,4-9H2,2H3.
What are the key properties of 6-propoxyhex-1-ene?
6-propoxyhex-1-ene has a molecular weight of 142.24 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propoxyhex-1-ene is sourced from PubChem (CID 23466867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).