Adamantane-2,6-dione, bis(ethylene ketal)-

C14H20O4 — CID 619814

IUPAC—
SMILESC1COC2(O1)C1CC3CC2CC(C1)C31OCCO1
InChIInChI=1S/C14H20O4/c1-2-16-13(15-1)9-5-11-7-10(13)8-12(6-9)14(11)17-3-4-18-14/h9-12H,1-8H2
InChIKeyFEXMRUZCZYCPCX-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.54
Rot. Bonds

About Adamantane-2,6-dione, bis(ethylene ketal)-

Adamantane-2,6-dione, bis(ethylene ketal)- (PubChem CID 619814) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol.

Molecular Properties

Compound NameAdamantane-2,6-dione, bis(ethylene ketal)-
PubChem CID619814
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name—
SMILESC1COC2(O1)C1CC3CC2CC(C1)C31OCCO1
InChIInChI=1S/C14H20O4/c1-2-16-13(15-1)9-5-11-7-10(13)8-12(6-9)14(11)17-3-4-18-14/h9-12H,1-8H2
InChIKeyFEXMRUZCZYCPCX-UHFFFAOYSA-N
XLogP1.54
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of Adamantane-2,6-dione, bis(ethylene ketal)-?
The IUPAC name of Adamantane-2,6-dione, bis(ethylene ketal)- (CID 619814) is not available.
What is the SMILES notation for Adamantane-2,6-dione, bis(ethylene ketal)-?
The canonical SMILES for Adamantane-2,6-dione, bis(ethylene ketal)- is C1COC2(O1)C1CC3CC2CC(C1)C31OCCO1.
What is the InChIKey of Adamantane-2,6-dione, bis(ethylene ketal)-?
The InChIKey is FEXMRUZCZYCPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-2-16-13(15-1)9-5-11-7-10(13)8-12(6-9)14(11)17-3-4-18-14/h9-12H,1-8H2.
What are the key properties of Adamantane-2,6-dione, bis(ethylene ketal)-?
Adamantane-2,6-dione, bis(ethylene ketal)- has a molecular weight of 252.31 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Adamantane-2,6-dione, bis(ethylene ketal)- is sourced from PubChem (CID 619814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).