1-(2,2-dimethylpropoxymethoxy)-2,2-dimethylpropane

C11H24O2 — CID 551333

IUPAC1-(2,2-dimethylpropoxymethoxy)-2,2-dimethylpropane
SMILESCC(C)(C)COCOCC(C)(C)C
InChIInChI=1S/C11H24O2/c1-10(2,3)7-12-9-13-8-11(4,5)6/h7-9H2,1-6H3
InChIKeyMBDCOZJUUYESRR-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.07
Rot. Bonds4

About 1-(2,2-dimethylpropoxymethoxy)-2,2-dimethylpropane

1-(2,2-dimethylpropoxymethoxy)-2,2-dimethylpropane (PubChem CID 551333) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-(2,2-dimethylpropoxymethoxy)-2,2-dimethylpropane.

Molecular Properties

Compound Name1-(2,2-dimethylpropoxymethoxy)-2,2-dimethylpropane
PubChem CID551333
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name1-(2,2-dimethylpropoxymethoxy)-2,2-dimethylpropane
SMILESCC(C)(C)COCOCC(C)(C)C
InChIInChI=1S/C11H24O2/c1-10(2,3)7-12-9-13-8-11(4,5)6/h7-9H2,1-6H3
InChIKeyMBDCOZJUUYESRR-UHFFFAOYSA-N
XLogP3.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropoxymethoxy)-2,2-dimethylpropane?
The IUPAC name of 1-(2,2-dimethylpropoxymethoxy)-2,2-dimethylpropane (CID 551333) is 1-(2,2-dimethylpropoxymethoxy)-2,2-dimethylpropane.
What is the SMILES notation for 1-(2,2-dimethylpropoxymethoxy)-2,2-dimethylpropane?
The canonical SMILES for 1-(2,2-dimethylpropoxymethoxy)-2,2-dimethylpropane is CC(C)(C)COCOCC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropoxymethoxy)-2,2-dimethylpropane?
The InChIKey is MBDCOZJUUYESRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-10(2,3)7-12-9-13-8-11(4,5)6/h7-9H2,1-6H3.
What are the key properties of 1-(2,2-dimethylpropoxymethoxy)-2,2-dimethylpropane?
1-(2,2-dimethylpropoxymethoxy)-2,2-dimethylpropane has a molecular weight of 188.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropoxymethoxy)-2,2-dimethylpropane is sourced from PubChem (CID 551333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).