(3aS,6aR)-2,2-diethyl-4-methyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole

C11H18O2 — CID 89083245

IUPAC(3aS,6aR)-2,2-diethyl-4-methyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole
SMILESCCC1(CC)O[C@@H]2C=CC(C)[C@@H]2O1
InChIInChI=1S/C11H18O2/c1-4-11(5-2)12-9-7-6-8(3)10(9)13-11/h6-10H,4-5H2,1-3H3/t8?,9-,10+/m1/s1
InChIKeyAKBZEYPKDLMFMG-XVBQNVSMSA-N
MW182.26 g/mol
LogP2.49
Rot. Bonds2

About (3aS,6aR)-2,2-diethyl-4-methyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole

(3aS,6aR)-2,2-diethyl-4-methyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole (PubChem CID 89083245) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (3aS,6aR)-2,2-diethyl-4-methyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole.

Molecular Properties

Compound Name(3aS,6aR)-2,2-diethyl-4-methyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole
PubChem CID89083245
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(3aS,6aR)-2,2-diethyl-4-methyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole
SMILESCCC1(CC)O[C@@H]2C=CC(C)[C@@H]2O1
InChIInChI=1S/C11H18O2/c1-4-11(5-2)12-9-7-6-8(3)10(9)13-11/h6-10H,4-5H2,1-3H3/t8?,9-,10+/m1/s1
InChIKeyAKBZEYPKDLMFMG-XVBQNVSMSA-N
XLogP2.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2,2-diethyl-4-methyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole?
The IUPAC name of (3aS,6aR)-2,2-diethyl-4-methyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole (CID 89083245) is (3aS,6aR)-2,2-diethyl-4-methyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole.
What is the SMILES notation for (3aS,6aR)-2,2-diethyl-4-methyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole?
The canonical SMILES for (3aS,6aR)-2,2-diethyl-4-methyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole is CCC1(CC)O[C@@H]2C=CC(C)[C@@H]2O1.
What is the InChIKey of (3aS,6aR)-2,2-diethyl-4-methyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole?
The InChIKey is AKBZEYPKDLMFMG-XVBQNVSMSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-11(5-2)12-9-7-6-8(3)10(9)13-11/h6-10H,4-5H2,1-3H3/t8?,9-,10+/m1/s1.
What are the key properties of (3aS,6aR)-2,2-diethyl-4-methyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole?
(3aS,6aR)-2,2-diethyl-4-methyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole has a molecular weight of 182.26 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2,2-diethyl-4-methyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole is sourced from PubChem (CID 89083245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).