3-methoxy-3-methylnon-4-yne

C11H20O — CID 101213955

IUPAC3-methoxy-3-methylnon-4-yne
SMILESCCCCC#CC(C)(CC)OC
InChIInChI=1S/C11H20O/c1-5-7-8-9-10-11(3,6-2)12-4/h5-8H2,1-4H3
InChIKeyZFGLCYHZHPZCGO-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.00
Rot. Bonds4

About 3-methoxy-3-methylnon-4-yne

3-methoxy-3-methylnon-4-yne (PubChem CID 101213955) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-methoxy-3-methylnon-4-yne.

Molecular Properties

Compound Name3-methoxy-3-methylnon-4-yne
PubChem CID101213955
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-methoxy-3-methylnon-4-yne
SMILESCCCCC#CC(C)(CC)OC
InChIInChI=1S/C11H20O/c1-5-7-8-9-10-11(3,6-2)12-4/h5-8H2,1-4H3
InChIKeyZFGLCYHZHPZCGO-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-methoxy-3-methylnon-4-yne with MolForge

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

Launch Full Analysis

Related Compounds

7,8-dimethyltetradeca-5,9-diyne-7,8-diol
CID 102249526
3-methylnon-4-yn-3-ol
CID 71352867
2-chloro-2-methyloct-3-yne
CID 10855756
1-amino-2,3-dimethylnon-4-yne-2,3-diol
CID 141319209
(2R)-2-dimethoxyphosphoryldec-3-yn-2-ol
CID 135055958
pentadeca-5,10-diyne
CID 15530767
diethyl 2-(2-methyloct-3-yn-2-yl)propanedioate
CID 14382178
2-methyl-2-nitrooct-3-yne
CID 12507304
2,2,3,3-tetramethyldodec-4-yne
CID 123959581
N-butylhex-1-yn-1-amine
CID 57233970
1-diethoxyphosphoryl-1,1-difluorohept-2-yne
CID 11737242
2-methoxy-2-methylpropane;pentane
CID 22145886

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methylnon-4-yne?
The IUPAC name of 3-methoxy-3-methylnon-4-yne (CID 101213955) is 3-methoxy-3-methylnon-4-yne.
What is the SMILES notation for 3-methoxy-3-methylnon-4-yne?
The canonical SMILES for 3-methoxy-3-methylnon-4-yne is CCCCC#CC(C)(CC)OC.
What is the InChIKey of 3-methoxy-3-methylnon-4-yne?
The InChIKey is ZFGLCYHZHPZCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-5-7-8-9-10-11(3,6-2)12-4/h5-8H2,1-4H3.
What are the key properties of 3-methoxy-3-methylnon-4-yne?
3-methoxy-3-methylnon-4-yne has a molecular weight of 168.28 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methylnon-4-yne is sourced from PubChem (CID 101213955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).