2-methoxy-4,4-dimethyl-1-propoxypentane

C11H24O2 — CID 160543534

IUPAC2-methoxy-4,4-dimethyl-1-propoxypentane
SMILESCCCOCC(CC(C)(C)C)OC
InChIInChI=1S/C11H24O2/c1-6-7-13-9-10(12-5)8-11(2,3)4/h10H,6-9H2,1-5H3
InChIKeyQXCOOVYGORVKEO-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.86
Rot. Bonds6

About 2-methoxy-4,4-dimethyl-1-propoxypentane

2-methoxy-4,4-dimethyl-1-propoxypentane (PubChem CID 160543534) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-methoxy-4,4-dimethyl-1-propoxypentane.

Molecular Properties

Compound Name2-methoxy-4,4-dimethyl-1-propoxypentane
PubChem CID160543534
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name2-methoxy-4,4-dimethyl-1-propoxypentane
SMILESCCCOCC(CC(C)(C)C)OC
InChIInChI=1S/C11H24O2/c1-6-7-13-9-10(12-5)8-11(2,3)4/h10H,6-9H2,1-5H3
InChIKeyQXCOOVYGORVKEO-UHFFFAOYSA-N
XLogP2.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-4,4-dimethyl-1-propoxypentane?
The IUPAC name of 2-methoxy-4,4-dimethyl-1-propoxypentane (CID 160543534) is 2-methoxy-4,4-dimethyl-1-propoxypentane.
What is the SMILES notation for 2-methoxy-4,4-dimethyl-1-propoxypentane?
The canonical SMILES for 2-methoxy-4,4-dimethyl-1-propoxypentane is CCCOCC(CC(C)(C)C)OC.
What is the InChIKey of 2-methoxy-4,4-dimethyl-1-propoxypentane?
The InChIKey is QXCOOVYGORVKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-6-7-13-9-10(12-5)8-11(2,3)4/h10H,6-9H2,1-5H3.
What are the key properties of 2-methoxy-4,4-dimethyl-1-propoxypentane?
2-methoxy-4,4-dimethyl-1-propoxypentane has a molecular weight of 188.31 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,4-dimethyl-1-propoxypentane is sourced from PubChem (CID 160543534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).