2,2-dimethyl-4-[(2-methylpropan-2-yl)oxymethoxymethyl]-1,3-dioxole

C11H20O4 — CID 134935671

IUPAC2,2-dimethyl-4-[(2-methylpropan-2-yl)oxymethoxymethyl]-1,3-dioxole
SMILESCC(C)(C)OCOCC1=COC(C)(C)O1
InChIInChI=1S/C11H20O4/c1-10(2,3)14-8-12-6-9-7-13-11(4,5)15-9/h7H,6,8H2,1-5H3
InChIKeyJCLDOLLVYUDAHN-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.40
Rot. Bonds4

About 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxymethoxymethyl]-1,3-dioxole

2,2-dimethyl-4-[(2-methylpropan-2-yl)oxymethoxymethyl]-1,3-dioxole (PubChem CID 134935671) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxymethoxymethyl]-1,3-dioxole.

Molecular Properties

Compound Name2,2-dimethyl-4-[(2-methylpropan-2-yl)oxymethoxymethyl]-1,3-dioxole
PubChem CID134935671
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2,2-dimethyl-4-[(2-methylpropan-2-yl)oxymethoxymethyl]-1,3-dioxole
SMILESCC(C)(C)OCOCC1=COC(C)(C)O1
InChIInChI=1S/C11H20O4/c1-10(2,3)14-8-12-6-9-7-13-11(4,5)15-9/h7H,6,8H2,1-5H3
InChIKeyJCLDOLLVYUDAHN-UHFFFAOYSA-N
XLogP2.40
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxymethoxymethyl]-1,3-dioxole?
The IUPAC name of 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxymethoxymethyl]-1,3-dioxole (CID 134935671) is 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxymethoxymethyl]-1,3-dioxole.
What is the SMILES notation for 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxymethoxymethyl]-1,3-dioxole?
The canonical SMILES for 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxymethoxymethyl]-1,3-dioxole is CC(C)(C)OCOCC1=COC(C)(C)O1.
What is the InChIKey of 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxymethoxymethyl]-1,3-dioxole?
The InChIKey is JCLDOLLVYUDAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-10(2,3)14-8-12-6-9-7-13-11(4,5)15-9/h7H,6,8H2,1-5H3.
What are the key properties of 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxymethoxymethyl]-1,3-dioxole?
2,2-dimethyl-4-[(2-methylpropan-2-yl)oxymethoxymethyl]-1,3-dioxole has a molecular weight of 216.28 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxymethoxymethyl]-1,3-dioxole is sourced from PubChem (CID 134935671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).