2-methoxy-2-methylundecane

C13H28O — CID 15635904

IUPAC2-methoxy-2-methylundecane
SMILESCCCCCCCCCC(C)(C)OC
InChIInChI=1S/C13H28O/c1-5-6-7-8-9-10-11-12-13(2,3)14-4/h5-12H2,1-4H3
InChIKeyWQHMEGBWNFRWDH-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.55
Rot. Bonds9

About 2-methoxy-2-methylundecane

2-methoxy-2-methylundecane (PubChem CID 15635904) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 2-methoxy-2-methylundecane.

Molecular Properties

Compound Name2-methoxy-2-methylundecane
PubChem CID15635904
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name2-methoxy-2-methylundecane
SMILESCCCCCCCCCC(C)(C)OC
InChIInChI=1S/C13H28O/c1-5-6-7-8-9-10-11-12-13(2,3)14-4/h5-12H2,1-4H3
InChIKeyWQHMEGBWNFRWDH-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methylundecane?
The IUPAC name of 2-methoxy-2-methylundecane (CID 15635904) is 2-methoxy-2-methylundecane.
What is the SMILES notation for 2-methoxy-2-methylundecane?
The canonical SMILES for 2-methoxy-2-methylundecane is CCCCCCCCCC(C)(C)OC.
What is the InChIKey of 2-methoxy-2-methylundecane?
The InChIKey is WQHMEGBWNFRWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-5-6-7-8-9-10-11-12-13(2,3)14-4/h5-12H2,1-4H3.
What are the key properties of 2-methoxy-2-methylundecane?
2-methoxy-2-methylundecane has a molecular weight of 200.37 g/mol, XLogP of 4.55, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methylundecane is sourced from PubChem (CID 15635904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).