4-(methoxymethyl)hex-1-ene

C8H16O — CID 90913092

IUPAC4-(methoxymethyl)hex-1-ene
SMILESC=CCC(CC)COC
InChIInChI=1S/C8H16O/c1-4-6-8(5-2)7-9-3/h4,8H,1,5-7H2,2-3H3
InChIKeyQSOMKUSGRMROFG-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.24
Rot. Bonds5

About 4-(methoxymethyl)hex-1-ene

4-(methoxymethyl)hex-1-ene (PubChem CID 90913092) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 4-(methoxymethyl)hex-1-ene.

Molecular Properties

Compound Name4-(methoxymethyl)hex-1-ene
PubChem CID90913092
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name4-(methoxymethyl)hex-1-ene
SMILESC=CCC(CC)COC
InChIInChI=1S/C8H16O/c1-4-6-8(5-2)7-9-3/h4,8H,1,5-7H2,2-3H3
InChIKeyQSOMKUSGRMROFG-UHFFFAOYSA-N
XLogP2.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(methoxymethyl)hex-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)hex-1-ene?
The IUPAC name of 4-(methoxymethyl)hex-1-ene (CID 90913092) is 4-(methoxymethyl)hex-1-ene.
What is the SMILES notation for 4-(methoxymethyl)hex-1-ene?
The canonical SMILES for 4-(methoxymethyl)hex-1-ene is C=CCC(CC)COC.
What is the InChIKey of 4-(methoxymethyl)hex-1-ene?
The InChIKey is QSOMKUSGRMROFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-4-6-8(5-2)7-9-3/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 4-(methoxymethyl)hex-1-ene?
4-(methoxymethyl)hex-1-ene has a molecular weight of 128.21 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)hex-1-ene is sourced from PubChem (CID 90913092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).