2-methoxy-2-methylnonane

C11H24O — CID 12714348

IUPAC2-methoxy-2-methylnonane
SMILESCCCCCCCC(C)(C)OC
InChIInChI=1S/C11H24O/c1-5-6-7-8-9-10-11(2,3)12-4/h5-10H2,1-4H3
InChIKeySALWNIIOIVKWGM-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.77
Rot. Bonds7

About 2-methoxy-2-methylnonane

2-methoxy-2-methylnonane (PubChem CID 12714348) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 2-methoxy-2-methylnonane.

Molecular Properties

Compound Name2-methoxy-2-methylnonane
PubChem CID12714348
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name2-methoxy-2-methylnonane
SMILESCCCCCCCC(C)(C)OC
InChIInChI=1S/C11H24O/c1-5-6-7-8-9-10-11(2,3)12-4/h5-10H2,1-4H3
InChIKeySALWNIIOIVKWGM-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.77
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-methylnonane?
The IUPAC name of 2-methoxy-2-methylnonane (CID 12714348) is 2-methoxy-2-methylnonane.
What is the SMILES notation for 2-methoxy-2-methylnonane?
The canonical SMILES for 2-methoxy-2-methylnonane is CCCCCCCC(C)(C)OC.
What is the InChIKey of 2-methoxy-2-methylnonane?
The InChIKey is SALWNIIOIVKWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-5-6-7-8-9-10-11(2,3)12-4/h5-10H2,1-4H3.
What are the key properties of 2-methoxy-2-methylnonane?
2-methoxy-2-methylnonane has a molecular weight of 172.31 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methylnonane is sourced from PubChem (CID 12714348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).