methyl (3aR,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxylate

C10H16O4 — CID 12717272

IUPACmethyl (3aR,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxylate
SMILESCOC(=O)C1C[C@@H]2OC(C)(C)O[C@@H]2C1
InChIInChI=1S/C10H16O4/c1-10(2)13-7-4-6(9(11)12-3)5-8(7)14-10/h6-8H,4-5H2,1-3H3/t6?,7-,8+
InChIKeyOYZNSQPDZQIHRG-IEESLHIDSA-N
MW200.23 g/mol
LogP1.09
Rot. Bonds1

About methyl (3aR,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxylate

methyl (3aR,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxylate (PubChem CID 12717272) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is methyl (3aR,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxylate.

Molecular Properties

Compound Namemethyl (3aR,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxylate
PubChem CID12717272
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namemethyl (3aR,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxylate
SMILESCOC(=O)C1C[C@@H]2OC(C)(C)O[C@@H]2C1
InChIInChI=1S/C10H16O4/c1-10(2)13-7-4-6(9(11)12-3)5-8(7)14-10/h6-8H,4-5H2,1-3H3/t6?,7-,8+
InChIKeyOYZNSQPDZQIHRG-IEESLHIDSA-N
XLogP1.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (3aR,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (3aR,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxylate?
The IUPAC name of methyl (3aR,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxylate (CID 12717272) is methyl (3aR,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxylate.
What is the SMILES notation for methyl (3aR,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxylate?
The canonical SMILES for methyl (3aR,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxylate is COC(=O)C1C[C@@H]2OC(C)(C)O[C@@H]2C1.
What is the InChIKey of methyl (3aR,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxylate?
The InChIKey is OYZNSQPDZQIHRG-IEESLHIDSA-N. The full InChI is InChI=1S/C10H16O4/c1-10(2)13-7-4-6(9(11)12-3)5-8(7)14-10/h6-8H,4-5H2,1-3H3/t6?,7-,8+.
What are the key properties of methyl (3aR,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxylate?
methyl (3aR,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxylate has a molecular weight of 200.23 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3aR,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxylate is sourced from PubChem (CID 12717272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).