2-methoxynon-1-ene

C10H20O — CID 91475696

IUPAC2-methoxynon-1-ene
SMILESC=C(CCCCCCC)OC
InChIInChI=1S/C10H20O/c1-4-5-6-7-8-9-10(2)11-3/h2,4-9H2,1,3H3
InChIKeyPKCCEOMIDCRKIF-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.51
Rot. Bonds7

About 2-methoxynon-1-ene

2-methoxynon-1-ene (PubChem CID 91475696) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-methoxynon-1-ene.

Molecular Properties

Compound Name2-methoxynon-1-ene
PubChem CID91475696
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2-methoxynon-1-ene
SMILESC=C(CCCCCCC)OC
InChIInChI=1S/C10H20O/c1-4-5-6-7-8-9-10(2)11-3/h2,4-9H2,1,3H3
InChIKeyPKCCEOMIDCRKIF-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methoxynon-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 2-methoxynon-1-ene?
The IUPAC name of 2-methoxynon-1-ene (CID 91475696) is 2-methoxynon-1-ene.
What is the SMILES notation for 2-methoxynon-1-ene?
The canonical SMILES for 2-methoxynon-1-ene is C=C(CCCCCCC)OC.
What is the InChIKey of 2-methoxynon-1-ene?
The InChIKey is PKCCEOMIDCRKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-4-5-6-7-8-9-10(2)11-3/h2,4-9H2,1,3H3.
What are the key properties of 2-methoxynon-1-ene?
2-methoxynon-1-ene has a molecular weight of 156.27 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxynon-1-ene is sourced from PubChem (CID 91475696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).