3,3-bis(methoxymethyl)-2,5-dimethylhexane

C12H26O2 — CID 11138158

IUPAC3,3-bis(methoxymethyl)-2,5-dimethylhexane
SMILESCOCC(COC)(CC(C)C)C(C)C
InChIInChI=1S/C12H26O2/c1-10(2)7-12(8-13-5,9-14-6)11(3)4/h10-11H,7-9H2,1-6H3
InChIKeyRGHIYOCUMCUWAQ-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.97
Rot. Bonds7

About 3,3-bis(methoxymethyl)-2,5-dimethylhexane

3,3-bis(methoxymethyl)-2,5-dimethylhexane (PubChem CID 11138158) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 3,3-bis(methoxymethyl)-2,5-dimethylhexane.

Molecular Properties

Compound Name3,3-bis(methoxymethyl)-2,5-dimethylhexane
PubChem CID11138158
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name3,3-bis(methoxymethyl)-2,5-dimethylhexane
SMILESCOCC(COC)(CC(C)C)C(C)C
InChIInChI=1S/C12H26O2/c1-10(2)7-12(8-13-5,9-14-6)11(3)4/h10-11H,7-9H2,1-6H3
InChIKeyRGHIYOCUMCUWAQ-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.97
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)-2,5-dimethylhexane?
The IUPAC name of 3,3-bis(methoxymethyl)-2,5-dimethylhexane (CID 11138158) is 3,3-bis(methoxymethyl)-2,5-dimethylhexane.
What is the SMILES notation for 3,3-bis(methoxymethyl)-2,5-dimethylhexane?
The canonical SMILES for 3,3-bis(methoxymethyl)-2,5-dimethylhexane is COCC(COC)(CC(C)C)C(C)C.
What is the InChIKey of 3,3-bis(methoxymethyl)-2,5-dimethylhexane?
The InChIKey is RGHIYOCUMCUWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-10(2)7-12(8-13-5,9-14-6)11(3)4/h10-11H,7-9H2,1-6H3.
What are the key properties of 3,3-bis(methoxymethyl)-2,5-dimethylhexane?
3,3-bis(methoxymethyl)-2,5-dimethylhexane has a molecular weight of 202.34 g/mol, XLogP of 2.97, 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)-2,5-dimethylhexane is sourced from PubChem (CID 11138158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).