1,3-dimethoxy-2-(methoxymethyl)-2-methylpropane

C8H18O3 — CID 554369

IUPAC1,3-dimethoxy-2-(methoxymethyl)-2-methylpropane
SMILESCOCC(C)(COC)COC
InChIInChI=1S/C8H18O3/c1-8(5-9-2,6-10-3)7-11-4/h5-7H2,1-4H3
InChIKeyPTOOVEFBMMTMJP-UHFFFAOYSA-N
MW162.23 g/mol
LogP0.93
Rot. Bonds6

About 1,3-dimethoxy-2-(methoxymethyl)-2-methylpropane

1,3-dimethoxy-2-(methoxymethyl)-2-methylpropane (PubChem CID 554369) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 1,3-dimethoxy-2-(methoxymethyl)-2-methylpropane.

Molecular Properties

Compound Name1,3-dimethoxy-2-(methoxymethyl)-2-methylpropane
PubChem CID554369
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name1,3-dimethoxy-2-(methoxymethyl)-2-methylpropane
SMILESCOCC(C)(COC)COC
InChIInChI=1S/C8H18O3/c1-8(5-9-2,6-10-3)7-11-4/h5-7H2,1-4H3
InChIKeyPTOOVEFBMMTMJP-UHFFFAOYSA-N
XLogP0.93
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-2-(methoxymethyl)-2-methylpropane?
The IUPAC name of 1,3-dimethoxy-2-(methoxymethyl)-2-methylpropane (CID 554369) is 1,3-dimethoxy-2-(methoxymethyl)-2-methylpropane.
What is the SMILES notation for 1,3-dimethoxy-2-(methoxymethyl)-2-methylpropane?
The canonical SMILES for 1,3-dimethoxy-2-(methoxymethyl)-2-methylpropane is COCC(C)(COC)COC.
What is the InChIKey of 1,3-dimethoxy-2-(methoxymethyl)-2-methylpropane?
The InChIKey is PTOOVEFBMMTMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3/c1-8(5-9-2,6-10-3)7-11-4/h5-7H2,1-4H3.
What are the key properties of 1,3-dimethoxy-2-(methoxymethyl)-2-methylpropane?
1,3-dimethoxy-2-(methoxymethyl)-2-methylpropane has a molecular weight of 162.23 g/mol, XLogP of 0.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-2-(methoxymethyl)-2-methylpropane is sourced from PubChem (CID 554369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).