1-methoxy-2-(methoxymethyl)-3,3-dimethylhexane

C11H24O2 — CID 175461181

IUPAC1-methoxy-2-(methoxymethyl)-3,3-dimethylhexane
SMILESCCCC(C)(C)C(COC)COC
InChIInChI=1S/C11H24O2/c1-6-7-11(2,3)10(8-12-4)9-13-5/h10H,6-9H2,1-5H3
InChIKeyPKFOTQFUBWNLMA-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.72
Rot. Bonds7

About 1-methoxy-2-(methoxymethyl)-3,3-dimethylhexane

1-methoxy-2-(methoxymethyl)-3,3-dimethylhexane (PubChem CID 175461181) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-methoxy-2-(methoxymethyl)-3,3-dimethylhexane.

Molecular Properties

Compound Name1-methoxy-2-(methoxymethyl)-3,3-dimethylhexane
PubChem CID175461181
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name1-methoxy-2-(methoxymethyl)-3,3-dimethylhexane
SMILESCCCC(C)(C)C(COC)COC
InChIInChI=1S/C11H24O2/c1-6-7-11(2,3)10(8-12-4)9-13-5/h10H,6-9H2,1-5H3
InChIKeyPKFOTQFUBWNLMA-UHFFFAOYSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(methoxymethyl)-3,3-dimethylhexane?
The IUPAC name of 1-methoxy-2-(methoxymethyl)-3,3-dimethylhexane (CID 175461181) is 1-methoxy-2-(methoxymethyl)-3,3-dimethylhexane.
What is the SMILES notation for 1-methoxy-2-(methoxymethyl)-3,3-dimethylhexane?
The canonical SMILES for 1-methoxy-2-(methoxymethyl)-3,3-dimethylhexane is CCCC(C)(C)C(COC)COC.
What is the InChIKey of 1-methoxy-2-(methoxymethyl)-3,3-dimethylhexane?
The InChIKey is PKFOTQFUBWNLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-6-7-11(2,3)10(8-12-4)9-13-5/h10H,6-9H2,1-5H3.
What are the key properties of 1-methoxy-2-(methoxymethyl)-3,3-dimethylhexane?
1-methoxy-2-(methoxymethyl)-3,3-dimethylhexane has a molecular weight of 188.31 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(methoxymethyl)-3,3-dimethylhexane is sourced from PubChem (CID 175461181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).