9-(methoxymethoxy)non-4-yn-1-ol

C11H20O3 — CID 11983659

IUPAC9-(methoxymethoxy)non-4-yn-1-ol
SMILESCOCOCCCCC#CCCCO
InChIInChI=1S/C11H20O3/c1-13-11-14-10-8-6-4-2-3-5-7-9-12/h12H,4-11H2,1H3
InChIKeyIBSFOEUOBNBUSA-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.55
Rot. Bonds8

About 9-(methoxymethoxy)non-4-yn-1-ol

9-(methoxymethoxy)non-4-yn-1-ol (PubChem CID 11983659) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 9-(methoxymethoxy)non-4-yn-1-ol.

Molecular Properties

Compound Name9-(methoxymethoxy)non-4-yn-1-ol
PubChem CID11983659
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name9-(methoxymethoxy)non-4-yn-1-ol
SMILESCOCOCCCCC#CCCCO
InChIInChI=1S/C11H20O3/c1-13-11-14-10-8-6-4-2-3-5-7-9-12/h12H,4-11H2,1H3
InChIKeyIBSFOEUOBNBUSA-UHFFFAOYSA-N
XLogP1.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 9-(methoxymethoxy)non-4-yn-1-ol 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 9-(methoxymethoxy)non-4-yn-1-ol?
The IUPAC name of 9-(methoxymethoxy)non-4-yn-1-ol (CID 11983659) is 9-(methoxymethoxy)non-4-yn-1-ol.
What is the SMILES notation for 9-(methoxymethoxy)non-4-yn-1-ol?
The canonical SMILES for 9-(methoxymethoxy)non-4-yn-1-ol is COCOCCCCC#CCCCO.
What is the InChIKey of 9-(methoxymethoxy)non-4-yn-1-ol?
The InChIKey is IBSFOEUOBNBUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-13-11-14-10-8-6-4-2-3-5-7-9-12/h12H,4-11H2,1H3.
What are the key properties of 9-(methoxymethoxy)non-4-yn-1-ol?
9-(methoxymethoxy)non-4-yn-1-ol has a molecular weight of 200.28 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(methoxymethoxy)non-4-yn-1-ol is sourced from PubChem (CID 11983659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).