1-methoxypentane;2-methoxypentane

C12H28O2 — CID 158569369

IUPAC1-methoxypentane;2-methoxypentane
SMILESCCCC(C)OC.CCCCCOC
InChIInChI=1S/2C6H14O/c1-4-5-6(2)7-3;1-3-4-5-6-7-2/h6H,4-5H2,1-3H3;3-6H2,1-2H3
InChIKeyHRWUZXSIEFZEEE-UHFFFAOYSA-N
MW204.35 g/mol
LogP3.64
Rot. Bonds7

About 1-methoxypentane;2-methoxypentane

1-methoxypentane;2-methoxypentane (PubChem CID 158569369) has the molecular formula C12H28O2 and a molecular weight of 204.35 g/mol. Its IUPAC name is 1-methoxypentane;2-methoxypentane.

Molecular Properties

Compound Name1-methoxypentane;2-methoxypentane
PubChem CID158569369
Molecular FormulaC12H28O2
Molecular Weight204.35 g/mol
Exact Mass204.21
IUPAC Name1-methoxypentane;2-methoxypentane
SMILESCCCC(C)OC.CCCCCOC
InChIInChI=1S/2C6H14O/c1-4-5-6(2)7-3;1-3-4-5-6-7-2/h6H,4-5H2,1-3H3;3-6H2,1-2H3
InChIKeyHRWUZXSIEFZEEE-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.35
LogP ≤ 53.64
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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Related Compounds

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2-(2-methoxyethoxy)octadecane
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bis(ethane-1,2-diol);1-methoxyheptane
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(Z)-14-methoxypentadec-7-ene
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Frequently Asked Questions

What is the IUPAC name of 1-methoxypentane;2-methoxypentane?
The IUPAC name of 1-methoxypentane;2-methoxypentane (CID 158569369) is 1-methoxypentane;2-methoxypentane.
What is the SMILES notation for 1-methoxypentane;2-methoxypentane?
The canonical SMILES for 1-methoxypentane;2-methoxypentane is CCCC(C)OC.CCCCCOC.
What is the InChIKey of 1-methoxypentane;2-methoxypentane?
The InChIKey is HRWUZXSIEFZEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H14O/c1-4-5-6(2)7-3;1-3-4-5-6-7-2/h6H,4-5H2,1-3H3;3-6H2,1-2H3.
What are the key properties of 1-methoxypentane;2-methoxypentane?
1-methoxypentane;2-methoxypentane has a molecular weight of 204.35 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypentane;2-methoxypentane is sourced from PubChem (CID 158569369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).