3-(methoxymethyl)heptane

C9H20O — CID 14795002

IUPAC3-(methoxymethyl)heptane
SMILESCCCCC(CC)COC
InChIInChI=1S/C9H20O/c1-4-6-7-9(5-2)8-10-3/h9H,4-8H2,1-3H3
InChIKeySHUGUNYYEAYLKM-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.85
Rot. Bonds6

About 3-(methoxymethyl)heptane

3-(methoxymethyl)heptane (PubChem CID 14795002) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 3-(methoxymethyl)heptane.

Molecular Properties

Compound Name3-(methoxymethyl)heptane
PubChem CID14795002
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name3-(methoxymethyl)heptane
SMILESCCCCC(CC)COC
InChIInChI=1S/C9H20O/c1-4-6-7-9(5-2)8-10-3/h9H,4-8H2,1-3H3
InChIKeySHUGUNYYEAYLKM-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)heptane?
The IUPAC name of 3-(methoxymethyl)heptane (CID 14795002) is 3-(methoxymethyl)heptane.
What is the SMILES notation for 3-(methoxymethyl)heptane?
The canonical SMILES for 3-(methoxymethyl)heptane is CCCCC(CC)COC.
What is the InChIKey of 3-(methoxymethyl)heptane?
The InChIKey is SHUGUNYYEAYLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-4-6-7-9(5-2)8-10-3/h9H,4-8H2,1-3H3.
What are the key properties of 3-(methoxymethyl)heptane?
3-(methoxymethyl)heptane has a molecular weight of 144.26 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)heptane is sourced from PubChem (CID 14795002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).