4-methoxy-2,2,5-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol

C10H18O4 — CID 18341661

IUPAC4-methoxy-2,2,5-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol
SMILESCOC1C(C)C(O)C2OC(C)(C)OC12
InChIInChI=1S/C10H18O4/c1-5-6(11)8-9(7(5)12-4)14-10(2,3)13-8/h5-9,11H,1-4H3
InChIKeyYYWIWCNSFRIHEE-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.53
Rot. Bonds1

About 4-methoxy-2,2,5-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol

4-methoxy-2,2,5-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol (PubChem CID 18341661) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-methoxy-2,2,5-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol.

Molecular Properties

Compound Name4-methoxy-2,2,5-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol
PubChem CID18341661
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name4-methoxy-2,2,5-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol
SMILESCOC1C(C)C(O)C2OC(C)(C)OC12
InChIInChI=1S/C10H18O4/c1-5-6(11)8-9(7(5)12-4)14-10(2,3)13-8/h5-9,11H,1-4H3
InChIKeyYYWIWCNSFRIHEE-UHFFFAOYSA-N
XLogP0.53
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-2,2,5-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol 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 4-methoxy-2,2,5-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol?
The IUPAC name of 4-methoxy-2,2,5-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol (CID 18341661) is 4-methoxy-2,2,5-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol.
What is the SMILES notation for 4-methoxy-2,2,5-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol?
The canonical SMILES for 4-methoxy-2,2,5-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol is COC1C(C)C(O)C2OC(C)(C)OC12.
What is the InChIKey of 4-methoxy-2,2,5-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol?
The InChIKey is YYWIWCNSFRIHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-5-6(11)8-9(7(5)12-4)14-10(2,3)13-8/h5-9,11H,1-4H3.
What are the key properties of 4-methoxy-2,2,5-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol?
4-methoxy-2,2,5-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol has a molecular weight of 202.25 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,2,5-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol is sourced from PubChem (CID 18341661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).