3,3-bis(methoxymethyl)hexane

C10H22O2 — CID 18737377

IUPAC3,3-bis(methoxymethyl)hexane
SMILESCCCC(CC)(COC)COC
InChIInChI=1S/C10H22O2/c1-5-7-10(6-2,8-11-3)9-12-4/h5-9H2,1-4H3
InChIKeyZRQTUFMZBBJYCY-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.48
Rot. Bonds7

About 3,3-bis(methoxymethyl)hexane

3,3-bis(methoxymethyl)hexane (PubChem CID 18737377) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 3,3-bis(methoxymethyl)hexane.

Molecular Properties

Compound Name3,3-bis(methoxymethyl)hexane
PubChem CID18737377
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name3,3-bis(methoxymethyl)hexane
SMILESCCCC(CC)(COC)COC
InChIInChI=1S/C10H22O2/c1-5-7-10(6-2,8-11-3)9-12-4/h5-9H2,1-4H3
InChIKeyZRQTUFMZBBJYCY-UHFFFAOYSA-N
XLogP2.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(methoxymethyl)hexane?
The IUPAC name of 3,3-bis(methoxymethyl)hexane (CID 18737377) is 3,3-bis(methoxymethyl)hexane.
What is the SMILES notation for 3,3-bis(methoxymethyl)hexane?
The canonical SMILES for 3,3-bis(methoxymethyl)hexane is CCCC(CC)(COC)COC.
What is the InChIKey of 3,3-bis(methoxymethyl)hexane?
The InChIKey is ZRQTUFMZBBJYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-5-7-10(6-2,8-11-3)9-12-4/h5-9H2,1-4H3.
What are the key properties of 3,3-bis(methoxymethyl)hexane?
3,3-bis(methoxymethyl)hexane has a molecular weight of 174.28 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(methoxymethyl)hexane is sourced from PubChem (CID 18737377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).