3-(methoxymethyl)pentane

C7H16O — CID 10866310

IUPAC3-(methoxymethyl)pentane
SMILESCCC(CC)COC
InChIInChI=1S/C7H16O/c1-4-7(5-2)6-8-3/h7H,4-6H2,1-3H3
InChIKeyJWXGQJXUAIXQEP-UHFFFAOYSA-N
MW116.20 g/mol
LogP2.07
Rot. Bonds4

About 3-(methoxymethyl)pentane

3-(methoxymethyl)pentane (PubChem CID 10866310) has the molecular formula C7H16O and a molecular weight of 116.20 g/mol. Its IUPAC name is 3-(methoxymethyl)pentane.

Molecular Properties

Compound Name3-(methoxymethyl)pentane
PubChem CID10866310
Molecular FormulaC7H16O
Molecular Weight116.20 g/mol
Exact Mass116.12
IUPAC Name3-(methoxymethyl)pentane
SMILESCCC(CC)COC
InChIInChI=1S/C7H16O/c1-4-7(5-2)6-8-3/h7H,4-6H2,1-3H3
InChIKeyJWXGQJXUAIXQEP-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)pentane?
The IUPAC name of 3-(methoxymethyl)pentane (CID 10866310) is 3-(methoxymethyl)pentane.
What is the SMILES notation for 3-(methoxymethyl)pentane?
The canonical SMILES for 3-(methoxymethyl)pentane is CCC(CC)COC.
What is the InChIKey of 3-(methoxymethyl)pentane?
The InChIKey is JWXGQJXUAIXQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O/c1-4-7(5-2)6-8-3/h7H,4-6H2,1-3H3.
What are the key properties of 3-(methoxymethyl)pentane?
3-(methoxymethyl)pentane has a molecular weight of 116.20 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)pentane is sourced from PubChem (CID 10866310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).