1-(2-methylpropoxy)undecane

C15H32O — CID 58527571

IUPAC1-(2-methylpropoxy)undecane
SMILESCCCCCCCCCCCOCC(C)C
InChIInChI=1S/C15H32O/c1-4-5-6-7-8-9-10-11-12-13-16-14-15(2)3/h15H,4-14H2,1-3H3
InChIKeyGKCJRFMUPSTDMT-UHFFFAOYSA-N
MW228.42 g/mol
LogP5.19
Rot. Bonds12

About 1-(2-methylpropoxy)undecane

1-(2-methylpropoxy)undecane (PubChem CID 58527571) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is 1-(2-methylpropoxy)undecane.

Molecular Properties

Compound Name1-(2-methylpropoxy)undecane
PubChem CID58527571
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Name1-(2-methylpropoxy)undecane
SMILESCCCCCCCCCCCOCC(C)C
InChIInChI=1S/C15H32O/c1-4-5-6-7-8-9-10-11-12-13-16-14-15(2)3/h15H,4-14H2,1-3H3
InChIKeyGKCJRFMUPSTDMT-UHFFFAOYSA-N
XLogP5.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.42
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-methylpropoxy)undecane 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

1-(2-methylpropoxy)tridecane
CID 91526471
1-tridecoxypropan-2-ol
CID 19798268
(2S)-1-octoxypropan-2-ol
CID 55250295
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
(2S)-2-(2-methylpropoxy)-3-octadecoxypropan-1-ol
CID 163881476
6-methyl-1-(2-methylpropoxy)heptane
CID 58371735
7-methyl-1-(2-methylpropoxy)octane
CID 23222552
1-butoxypropan-2-ol;1-hexoxypropan-2-ol
CID 158093750
1-(2-hexoxypropoxy)hexane
CID 71353992
1-(2-ethylbutoxy)decane
CID 22002893
1-(3-hexoxy-2-methoxypropoxy)hexane
CID 163381100
1-[2,3-di(tridecoxy)propoxy]tridecane
CID 71331054

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)undecane?
The IUPAC name of 1-(2-methylpropoxy)undecane (CID 58527571) is 1-(2-methylpropoxy)undecane.
What is the SMILES notation for 1-(2-methylpropoxy)undecane?
The canonical SMILES for 1-(2-methylpropoxy)undecane is CCCCCCCCCCCOCC(C)C.
What is the InChIKey of 1-(2-methylpropoxy)undecane?
The InChIKey is GKCJRFMUPSTDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O/c1-4-5-6-7-8-9-10-11-12-13-16-14-15(2)3/h15H,4-14H2,1-3H3.
What are the key properties of 1-(2-methylpropoxy)undecane?
1-(2-methylpropoxy)undecane has a molecular weight of 228.42 g/mol, XLogP of 5.19, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)undecane is sourced from PubChem (CID 58527571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).