4-tert-butyl-2,2-dimethyl-6-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole

C15H28O2 — CID 142101866

IUPAC4-tert-butyl-2,2-dimethyl-6-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole
SMILESCC(C)C1CC(C(C)(C)C)C2OC(C)(C)OC12
InChIInChI=1S/C15H28O2/c1-9(2)10-8-11(14(3,4)5)13-12(10)16-15(6,7)17-13/h9-13H,8H2,1-7H3
InChIKeyCNKPBYUEGVLSOQ-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.84
Rot. Bonds1

About 4-tert-butyl-2,2-dimethyl-6-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole

4-tert-butyl-2,2-dimethyl-6-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole (PubChem CID 142101866) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-tert-butyl-2,2-dimethyl-6-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole.

Molecular Properties

Compound Name4-tert-butyl-2,2-dimethyl-6-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole
PubChem CID142101866
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name4-tert-butyl-2,2-dimethyl-6-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole
SMILESCC(C)C1CC(C(C)(C)C)C2OC(C)(C)OC12
InChIInChI=1S/C15H28O2/c1-9(2)10-8-11(14(3,4)5)13-12(10)16-15(6,7)17-13/h9-13H,8H2,1-7H3
InChIKeyCNKPBYUEGVLSOQ-UHFFFAOYSA-N
XLogP3.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,2-dimethyl-6-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole?
The IUPAC name of 4-tert-butyl-2,2-dimethyl-6-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole (CID 142101866) is 4-tert-butyl-2,2-dimethyl-6-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole.
What is the SMILES notation for 4-tert-butyl-2,2-dimethyl-6-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole?
The canonical SMILES for 4-tert-butyl-2,2-dimethyl-6-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole is CC(C)C1CC(C(C)(C)C)C2OC(C)(C)OC12.
What is the InChIKey of 4-tert-butyl-2,2-dimethyl-6-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole?
The InChIKey is CNKPBYUEGVLSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-9(2)10-8-11(14(3,4)5)13-12(10)16-15(6,7)17-13/h9-13H,8H2,1-7H3.
What are the key properties of 4-tert-butyl-2,2-dimethyl-6-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole?
4-tert-butyl-2,2-dimethyl-6-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole has a molecular weight of 240.39 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,2-dimethyl-6-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole is sourced from PubChem (CID 142101866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).