2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one

C18H24O4 — CID 18341655

IUPAC2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
SMILESCC1C(=O)C2OC(C)(C)OC2C1OC(C)(C)c1ccccc1
InChIInChI=1S/C18H24O4/c1-11-13(19)15-16(22-18(4,5)21-15)14(11)20-17(2,3)12-9-7-6-8-10-12/h6-11,14-16H,1-5H3
InChIKeyNQUBXMJNGWYORQ-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.05
Rot. Bonds3

About 2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one

2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one (PubChem CID 18341655) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one.

Molecular Properties

Compound Name2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
PubChem CID18341655
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Name2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
SMILESCC1C(=O)C2OC(C)(C)OC2C1OC(C)(C)c1ccccc1
InChIInChI=1S/C18H24O4/c1-11-13(19)15-16(22-18(4,5)21-15)14(11)20-17(2,3)12-9-7-6-8-10-12/h6-11,14-16H,1-5H3
InChIKeyNQUBXMJNGWYORQ-UHFFFAOYSA-N
XLogP3.05
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one?
The IUPAC name of 2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one (CID 18341655) is 2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one.
What is the SMILES notation for 2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one?
The canonical SMILES for 2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one is CC1C(=O)C2OC(C)(C)OC2C1OC(C)(C)c1ccccc1.
What is the InChIKey of 2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one?
The InChIKey is NQUBXMJNGWYORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O4/c1-11-13(19)15-16(22-18(4,5)21-15)14(11)20-17(2,3)12-9-7-6-8-10-12/h6-11,14-16H,1-5H3.
What are the key properties of 2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one?
2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one has a molecular weight of 304.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one is sourced from PubChem (CID 18341655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).