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

C10H20O2 — CID 12914118

IUPAC2,4,5-trimethyl-2-(2-methylpropyl)-1,3-dioxolane
SMILESCC(C)CC1(C)OC(C)C(C)O1
InChIInChI=1S/C10H20O2/c1-7(2)6-10(5)11-8(3)9(4)12-10/h7-9H,6H2,1-5H3
InChIKeyWXXLOGRIGVDDKV-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.57
Rot. Bonds2

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

2,4,5-trimethyl-2-(2-methylpropyl)-1,3-dioxolane (PubChem CID 12914118) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2,4,5-trimethyl-2-(2-methylpropyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,4,5-trimethyl-2-(2-methylpropyl)-1,3-dioxolane
PubChem CID12914118
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2,4,5-trimethyl-2-(2-methylpropyl)-1,3-dioxolane
SMILESCC(C)CC1(C)OC(C)C(C)O1
InChIInChI=1S/C10H20O2/c1-7(2)6-10(5)11-8(3)9(4)12-10/h7-9H,6H2,1-5H3
InChIKeyWXXLOGRIGVDDKV-UHFFFAOYSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-2-(2-methylpropyl)-1,3-dioxolane?
The IUPAC name of 2,4,5-trimethyl-2-(2-methylpropyl)-1,3-dioxolane (CID 12914118) is 2,4,5-trimethyl-2-(2-methylpropyl)-1,3-dioxolane.
What is the SMILES notation for 2,4,5-trimethyl-2-(2-methylpropyl)-1,3-dioxolane?
The canonical SMILES for 2,4,5-trimethyl-2-(2-methylpropyl)-1,3-dioxolane is CC(C)CC1(C)OC(C)C(C)O1.
What is the InChIKey of 2,4,5-trimethyl-2-(2-methylpropyl)-1,3-dioxolane?
The InChIKey is WXXLOGRIGVDDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-7(2)6-10(5)11-8(3)9(4)12-10/h7-9H,6H2,1-5H3.
What are the key properties of 2,4,5-trimethyl-2-(2-methylpropyl)-1,3-dioxolane?
2,4,5-trimethyl-2-(2-methylpropyl)-1,3-dioxolane has a molecular weight of 172.27 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-2-(2-methylpropyl)-1,3-dioxolane is sourced from PubChem (CID 12914118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).