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

C16H30O2 — CID 59115895

IUPAC4,6-ditert-butyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole
SMILESCC1(C)OC2C(O1)C(C(C)(C)C)CC2C(C)(C)C
InChIInChI=1S/C16H30O2/c1-14(2,3)10-9-11(15(4,5)6)13-12(10)17-16(7,8)18-13/h10-13H,9H2,1-8H3
InChIKeyJHOGQIDAUUSIOH-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.23
Rot. Bonds

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

4,6-ditert-butyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole (PubChem CID 59115895) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 4,6-ditert-butyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole.

Molecular Properties

Compound Name4,6-ditert-butyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole
PubChem CID59115895
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name4,6-ditert-butyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole
SMILESCC1(C)OC2C(O1)C(C(C)(C)C)CC2C(C)(C)C
InChIInChI=1S/C16H30O2/c1-14(2,3)10-9-11(15(4,5)6)13-12(10)17-16(7,8)18-13/h10-13H,9H2,1-8H3
InChIKeyJHOGQIDAUUSIOH-UHFFFAOYSA-N
XLogP4.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-ditert-butyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole?
The IUPAC name of 4,6-ditert-butyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole (CID 59115895) is 4,6-ditert-butyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole.
What is the SMILES notation for 4,6-ditert-butyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole?
The canonical SMILES for 4,6-ditert-butyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole is CC1(C)OC2C(O1)C(C(C)(C)C)CC2C(C)(C)C.
What is the InChIKey of 4,6-ditert-butyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole?
The InChIKey is JHOGQIDAUUSIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-14(2,3)10-9-11(15(4,5)6)13-12(10)17-16(7,8)18-13/h10-13H,9H2,1-8H3.
What are the key properties of 4,6-ditert-butyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole?
4,6-ditert-butyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole has a molecular weight of 254.41 g/mol, XLogP of 4.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-ditert-butyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole is sourced from PubChem (CID 59115895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).