(3aR,4R,6R,6aR)-5-cyclopenta-1,3-dien-1-yl-2,2,4,6-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole

C15H22O2 — CID 70892220

IUPAC(3aR,4R,6R,6aR)-5-cyclopenta-1,3-dien-1-yl-2,2,4,6-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole
SMILESC[C@@H]1C(C2=CC=CC2)[C@@H](C)[C@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C15H22O2/c1-9-12(11-7-5-6-8-11)10(2)14-13(9)16-15(3,4)17-14/h5-7,9-10,12-14H,8H2,1-4H3/t9-,10-,13-,14-/m1/s1
InChIKeyUYKCSWAXSTXGBQ-DMTCVQMQSA-N
MW234.34 g/mol
LogP3.29
Rot. Bonds1

About (3aR,4R,6R,6aR)-5-cyclopenta-1,3-dien-1-yl-2,2,4,6-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole

(3aR,4R,6R,6aR)-5-cyclopenta-1,3-dien-1-yl-2,2,4,6-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole (PubChem CID 70892220) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (3aR,4R,6R,6aR)-5-cyclopenta-1,3-dien-1-yl-2,2,4,6-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole.

Molecular Properties

Compound Name(3aR,4R,6R,6aR)-5-cyclopenta-1,3-dien-1-yl-2,2,4,6-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole
PubChem CID70892220
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(3aR,4R,6R,6aR)-5-cyclopenta-1,3-dien-1-yl-2,2,4,6-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole
SMILESC[C@@H]1C(C2=CC=CC2)[C@@H](C)[C@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C15H22O2/c1-9-12(11-7-5-6-8-11)10(2)14-13(9)16-15(3,4)17-14/h5-7,9-10,12-14H,8H2,1-4H3/t9-,10-,13-,14-/m1/s1
InChIKeyUYKCSWAXSTXGBQ-DMTCVQMQSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aR,4R,6R,6aR)-5-cyclopenta-1,3-dien-1-yl-2,2,4,6-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,4R,6R,6aR)-5-cyclopenta-1,3-dien-1-yl-2,2,4,6-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole?
The IUPAC name of (3aR,4R,6R,6aR)-5-cyclopenta-1,3-dien-1-yl-2,2,4,6-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole (CID 70892220) is (3aR,4R,6R,6aR)-5-cyclopenta-1,3-dien-1-yl-2,2,4,6-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole.
What is the SMILES notation for (3aR,4R,6R,6aR)-5-cyclopenta-1,3-dien-1-yl-2,2,4,6-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole?
The canonical SMILES for (3aR,4R,6R,6aR)-5-cyclopenta-1,3-dien-1-yl-2,2,4,6-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole is C[C@@H]1C(C2=CC=CC2)[C@@H](C)[C@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of (3aR,4R,6R,6aR)-5-cyclopenta-1,3-dien-1-yl-2,2,4,6-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole?
The InChIKey is UYKCSWAXSTXGBQ-DMTCVQMQSA-N. The full InChI is InChI=1S/C15H22O2/c1-9-12(11-7-5-6-8-11)10(2)14-13(9)16-15(3,4)17-14/h5-7,9-10,12-14H,8H2,1-4H3/t9-,10-,13-,14-/m1/s1.
What are the key properties of (3aR,4R,6R,6aR)-5-cyclopenta-1,3-dien-1-yl-2,2,4,6-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole?
(3aR,4R,6R,6aR)-5-cyclopenta-1,3-dien-1-yl-2,2,4,6-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole has a molecular weight of 234.34 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,6R,6aR)-5-cyclopenta-1,3-dien-1-yl-2,2,4,6-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole is sourced from PubChem (CID 70892220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).