2-(2,2-dimethylpropyl)-2,4,5-trimethyl-1,3-dioxolane

C11H22O2 — CID 575292

IUPAC2-(2,2-dimethylpropyl)-2,4,5-trimethyl-1,3-dioxolane
SMILESCC1OC(C)(CC(C)(C)C)OC1C
InChIInChI=1S/C11H22O2/c1-8-9(2)13-11(6,12-8)7-10(3,4)5/h8-9H,7H2,1-6H3
InChIKeyDBWDNIODQCRMHI-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.96
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-2,4,5-trimethyl-1,3-dioxolane

2-(2,2-dimethylpropyl)-2,4,5-trimethyl-1,3-dioxolane (PubChem CID 575292) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-2,4,5-trimethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-2,4,5-trimethyl-1,3-dioxolane
PubChem CID575292
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-(2,2-dimethylpropyl)-2,4,5-trimethyl-1,3-dioxolane
SMILESCC1OC(C)(CC(C)(C)C)OC1C
InChIInChI=1S/C11H22O2/c1-8-9(2)13-11(6,12-8)7-10(3,4)5/h8-9H,7H2,1-6H3
InChIKeyDBWDNIODQCRMHI-UHFFFAOYSA-N
XLogP2.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-2,4,5-trimethyl-1,3-dioxolane?
The IUPAC name of 2-(2,2-dimethylpropyl)-2,4,5-trimethyl-1,3-dioxolane (CID 575292) is 2-(2,2-dimethylpropyl)-2,4,5-trimethyl-1,3-dioxolane.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-2,4,5-trimethyl-1,3-dioxolane?
The canonical SMILES for 2-(2,2-dimethylpropyl)-2,4,5-trimethyl-1,3-dioxolane is CC1OC(C)(CC(C)(C)C)OC1C.
What is the InChIKey of 2-(2,2-dimethylpropyl)-2,4,5-trimethyl-1,3-dioxolane?
The InChIKey is DBWDNIODQCRMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-8-9(2)13-11(6,12-8)7-10(3,4)5/h8-9H,7H2,1-6H3.
What are the key properties of 2-(2,2-dimethylpropyl)-2,4,5-trimethyl-1,3-dioxolane?
2-(2,2-dimethylpropyl)-2,4,5-trimethyl-1,3-dioxolane has a molecular weight of 186.29 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-2,4,5-trimethyl-1,3-dioxolane is sourced from PubChem (CID 575292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).