2-methyl-2-(2,2,3-trimethylcyclopentyl)-1,3-dioxolane

C12H22O2 — CID 123760680

IUPAC2-methyl-2-(2,2,3-trimethylcyclopentyl)-1,3-dioxolane
SMILESCC1CCC(C2(C)OCCO2)C1(C)C
InChIInChI=1S/C12H22O2/c1-9-5-6-10(11(9,2)3)12(4)13-7-8-14-12/h9-10H,5-8H2,1-4H3
InChIKeyLGDGNWYRPZXUPY-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.82
Rot. Bonds1

About 2-methyl-2-(2,2,3-trimethylcyclopentyl)-1,3-dioxolane

2-methyl-2-(2,2,3-trimethylcyclopentyl)-1,3-dioxolane (PubChem CID 123760680) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-methyl-2-(2,2,3-trimethylcyclopentyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-(2,2,3-trimethylcyclopentyl)-1,3-dioxolane
PubChem CID123760680
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-methyl-2-(2,2,3-trimethylcyclopentyl)-1,3-dioxolane
SMILESCC1CCC(C2(C)OCCO2)C1(C)C
InChIInChI=1S/C12H22O2/c1-9-5-6-10(11(9,2)3)12(4)13-7-8-14-12/h9-10H,5-8H2,1-4H3
InChIKeyLGDGNWYRPZXUPY-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2,2,3-trimethylcyclopentyl)-1,3-dioxolane?
The IUPAC name of 2-methyl-2-(2,2,3-trimethylcyclopentyl)-1,3-dioxolane (CID 123760680) is 2-methyl-2-(2,2,3-trimethylcyclopentyl)-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-(2,2,3-trimethylcyclopentyl)-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-(2,2,3-trimethylcyclopentyl)-1,3-dioxolane is CC1CCC(C2(C)OCCO2)C1(C)C.
What is the InChIKey of 2-methyl-2-(2,2,3-trimethylcyclopentyl)-1,3-dioxolane?
The InChIKey is LGDGNWYRPZXUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-9-5-6-10(11(9,2)3)12(4)13-7-8-14-12/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-methyl-2-(2,2,3-trimethylcyclopentyl)-1,3-dioxolane?
2-methyl-2-(2,2,3-trimethylcyclopentyl)-1,3-dioxolane has a molecular weight of 198.31 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2,2,3-trimethylcyclopentyl)-1,3-dioxolane is sourced from PubChem (CID 123760680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).