3-methoxyhexane

C7H16O — CID 542372

IUPAC3-methoxyhexane
SMILESCCCC(CC)OC
InChIInChI=1S/C7H16O/c1-4-6-7(5-2)8-3/h7H,4-6H2,1-3H3
InChIKeyQNJRNZBXNCPKHQ-UHFFFAOYSA-N
MW116.20 g/mol
LogP2.21
Rot. Bonds4

About 3-methoxyhexane

3-methoxyhexane (PubChem CID 542372) has the molecular formula C7H16O and a molecular weight of 116.20 g/mol. Its IUPAC name is 3-methoxyhexane.

Molecular Properties

Compound Name3-methoxyhexane
PubChem CID542372
Molecular FormulaC7H16O
Molecular Weight116.20 g/mol
Exact Mass116.12
IUPAC Name3-methoxyhexane
SMILESCCCC(CC)OC
InChIInChI=1S/C7H16O/c1-4-6-7(5-2)8-3/h7H,4-6H2,1-3H3
InChIKeyQNJRNZBXNCPKHQ-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.20
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methoxyhexane?
The IUPAC name of 3-methoxyhexane (CID 542372) is 3-methoxyhexane.
What is the SMILES notation for 3-methoxyhexane?
The canonical SMILES for 3-methoxyhexane is CCCC(CC)OC.
What is the InChIKey of 3-methoxyhexane?
The InChIKey is QNJRNZBXNCPKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O/c1-4-6-7(5-2)8-3/h7H,4-6H2,1-3H3.
What are the key properties of 3-methoxyhexane?
3-methoxyhexane has a molecular weight of 116.20 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyhexane is sourced from PubChem (CID 542372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).