adamantane;oxolane-2,5-dione

C14H20O3 — CID 18424860

IUPACadamantane;oxolane-2,5-dione
SMILESC1C2CC3CC1CC(C2)C3.O=C1CCC(=O)O1
InChIInChI=1S/C10H16.C4H4O3/c1-7-2-9-4-8(1)5-10(3-7)6-9;5-3-1-2-4(6)7-3/h7-10H,1-6H2;1-2H2
InChIKeyZMKHPUPFOMEMFU-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.68
Rot. Bonds

About adamantane;oxolane-2,5-dione

adamantane;oxolane-2,5-dione (PubChem CID 18424860) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is adamantane;oxolane-2,5-dione.

Molecular Properties

Compound Nameadamantane;oxolane-2,5-dione
PubChem CID18424860
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Nameadamantane;oxolane-2,5-dione
SMILESC1C2CC3CC1CC(C2)C3.O=C1CCC(=O)O1
InChIInChI=1S/C10H16.C4H4O3/c1-7-2-9-4-8(1)5-10(3-7)6-9;5-3-1-2-4(6)7-3/h7-10H,1-6H2;1-2H2
InChIKeyZMKHPUPFOMEMFU-UHFFFAOYSA-N
XLogP2.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of adamantane;oxolane-2,5-dione?
The IUPAC name of adamantane;oxolane-2,5-dione (CID 18424860) is adamantane;oxolane-2,5-dione.
What is the SMILES notation for adamantane;oxolane-2,5-dione?
The canonical SMILES for adamantane;oxolane-2,5-dione is C1C2CC3CC1CC(C2)C3.O=C1CCC(=O)O1.
What is the InChIKey of adamantane;oxolane-2,5-dione?
The InChIKey is ZMKHPUPFOMEMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.C4H4O3/c1-7-2-9-4-8(1)5-10(3-7)6-9;5-3-1-2-4(6)7-3/h7-10H,1-6H2;1-2H2.
What are the key properties of adamantane;oxolane-2,5-dione?
adamantane;oxolane-2,5-dione has a molecular weight of 236.31 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;oxolane-2,5-dione is sourced from PubChem (CID 18424860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).