1-(methoxymethoxy)-6-methylheptane

C10H22O2 — CID 54450331

IUPAC1-(methoxymethoxy)-6-methylheptane
SMILESCOCOCCCCCC(C)C
InChIInChI=1S/C10H22O2/c1-10(2)7-5-4-6-8-12-9-11-3/h10H,4-9H2,1-3H3
InChIKeyWUMTWUMFVBFWPH-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.82
Rot. Bonds8

About 1-(methoxymethoxy)-6-methylheptane

1-(methoxymethoxy)-6-methylheptane (PubChem CID 54450331) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 1-(methoxymethoxy)-6-methylheptane.

Molecular Properties

Compound Name1-(methoxymethoxy)-6-methylheptane
PubChem CID54450331
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name1-(methoxymethoxy)-6-methylheptane
SMILESCOCOCCCCCC(C)C
InChIInChI=1S/C10H22O2/c1-10(2)7-5-4-6-8-12-9-11-3/h10H,4-9H2,1-3H3
InChIKeyWUMTWUMFVBFWPH-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethoxy)-6-methylheptane?
The IUPAC name of 1-(methoxymethoxy)-6-methylheptane (CID 54450331) is 1-(methoxymethoxy)-6-methylheptane.
What is the SMILES notation for 1-(methoxymethoxy)-6-methylheptane?
The canonical SMILES for 1-(methoxymethoxy)-6-methylheptane is COCOCCCCCC(C)C.
What is the InChIKey of 1-(methoxymethoxy)-6-methylheptane?
The InChIKey is WUMTWUMFVBFWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-10(2)7-5-4-6-8-12-9-11-3/h10H,4-9H2,1-3H3.
What are the key properties of 1-(methoxymethoxy)-6-methylheptane?
1-(methoxymethoxy)-6-methylheptane has a molecular weight of 174.28 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)-6-methylheptane is sourced from PubChem (CID 54450331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).