4-methoxyheptane

C8H18O — CID 20744741

IUPAC4-methoxyheptane
SMILESCCCC(CCC)OC
InChIInChI=1S/C8H18O/c1-4-6-8(9-3)7-5-2/h8H,4-7H2,1-3H3
InChIKeyXUMCXZGPFPOTEX-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.60
Rot. Bonds5

About 4-methoxyheptane

4-methoxyheptane (PubChem CID 20744741) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is 4-methoxyheptane.

Molecular Properties

Compound Name4-methoxyheptane
PubChem CID20744741
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name4-methoxyheptane
SMILESCCCC(CCC)OC
InChIInChI=1S/C8H18O/c1-4-6-8(9-3)7-5-2/h8H,4-7H2,1-3H3
InChIKeyXUMCXZGPFPOTEX-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methoxyheptane?
The IUPAC name of 4-methoxyheptane (CID 20744741) is 4-methoxyheptane.
What is the SMILES notation for 4-methoxyheptane?
The canonical SMILES for 4-methoxyheptane is CCCC(CCC)OC.
What is the InChIKey of 4-methoxyheptane?
The InChIKey is XUMCXZGPFPOTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O/c1-4-6-8(9-3)7-5-2/h8H,4-7H2,1-3H3.
What are the key properties of 4-methoxyheptane?
4-methoxyheptane has a molecular weight of 130.23 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxyheptane is sourced from PubChem (CID 20744741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).