2,2-dimethyl-4-(2-methylbutan-2-yloxy)-1,3-dioxolane

C10H20O3 — CID 163661799

IUPAC2,2-dimethyl-4-(2-methylbutan-2-yloxy)-1,3-dioxolane
SMILESCCC(C)(C)OC1COC(C)(C)O1
InChIInChI=1S/C10H20O3/c1-6-9(2,3)12-8-7-11-10(4,5)13-8/h8H,6-7H2,1-5H3
InChIKeyIVBJTRLMYUWCMH-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.30
Rot. Bonds3

About 2,2-dimethyl-4-(2-methylbutan-2-yloxy)-1,3-dioxolane

2,2-dimethyl-4-(2-methylbutan-2-yloxy)-1,3-dioxolane (PubChem CID 163661799) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-methylbutan-2-yloxy)-1,3-dioxolane.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-methylbutan-2-yloxy)-1,3-dioxolane
PubChem CID163661799
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2,2-dimethyl-4-(2-methylbutan-2-yloxy)-1,3-dioxolane
SMILESCCC(C)(C)OC1COC(C)(C)O1
InChIInChI=1S/C10H20O3/c1-6-9(2,3)12-8-7-11-10(4,5)13-8/h8H,6-7H2,1-5H3
InChIKeyIVBJTRLMYUWCMH-UHFFFAOYSA-N
XLogP2.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-methylbutan-2-yloxy)-1,3-dioxolane?
The IUPAC name of 2,2-dimethyl-4-(2-methylbutan-2-yloxy)-1,3-dioxolane (CID 163661799) is 2,2-dimethyl-4-(2-methylbutan-2-yloxy)-1,3-dioxolane.
What is the SMILES notation for 2,2-dimethyl-4-(2-methylbutan-2-yloxy)-1,3-dioxolane?
The canonical SMILES for 2,2-dimethyl-4-(2-methylbutan-2-yloxy)-1,3-dioxolane is CCC(C)(C)OC1COC(C)(C)O1.
What is the InChIKey of 2,2-dimethyl-4-(2-methylbutan-2-yloxy)-1,3-dioxolane?
The InChIKey is IVBJTRLMYUWCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-6-9(2,3)12-8-7-11-10(4,5)13-8/h8H,6-7H2,1-5H3.
What are the key properties of 2,2-dimethyl-4-(2-methylbutan-2-yloxy)-1,3-dioxolane?
2,2-dimethyl-4-(2-methylbutan-2-yloxy)-1,3-dioxolane has a molecular weight of 188.27 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-methylbutan-2-yloxy)-1,3-dioxolane is sourced from PubChem (CID 163661799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).