Dimethyl 1,3-adamantanedicarboxylate

• CAS: 1459-95-6
• Catalog Number: ACM1459956
• Category: Micro/NanoElectronics
• Molecular Weight: 252.31g/mol
• Molecular Formula: C14H20O4
• Synonyms: DMADC
• IUPAC Name: dimethyl adamantane-1,3-dicarboxylate
• Canonical SMILES: COC(=O)[C@]12CC3CC(C1)C[C@@](C3)(C2)C(=O)OC
• InChI: 1S/C14H20O4/c1-17-11(15)13-4-9-3-10(5-13)7-14(6-9,8-13)12(16)18-2/h9-10H,3-8H2,1-2H3/t9-,10+,13+,14-
• InChI Key: YXMDGBXGJKYMQL-DHPDLVEQSA-N
• Melting Point: 60-61 °C (lit.)
• Storage: room temp
• Assay: 98%
• Complexity: 353
• Covalently-Bonded Unit Count: 1
• Exact Mass: 252.136159g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 18
• MDL Number: MFCD00167791
• Monoisotopic Mass: 252.136159g/mol
• NSC Number: 632548
• Packaging: 5 g in glass bottle
• Quality Level: 100
• Rotatable Bond Count: 4
• XLogP3: 1.8

Custom Q&A

What is the molecular formula of Dimethyl 1,3-adamantanedicarboxylate?

The molecular formula of Dimethyl 1,3-adamantanedicarboxylate is C14H20O4.

What is the PubChem CID of Dimethyl 1,3-adamantanedicarboxylate?

The PubChem CID of Dimethyl 1,3-adamantanedicarboxylate is 365223.

What is the IUPAC name of Dimethyl 1,3-adamantanedicarboxylate?

The IUPAC name of Dimethyl 1,3-adamantanedicarboxylate is dimethyl adamantane-1,3-dicarboxylate.

What is the InChI of Dimethyl 1,3-adamantanedicarboxylate?

The InChI of Dimethyl 1,3-adamantanedicarboxylate is InChI=1S/C14H20O4/c1-17-11(15)13-4-9-3-10(5-13)7-14(6-9,8-13)12(16)18-2/h9-10H,3-8H2,1-2H3.

What is the InChIKey of Dimethyl 1,3-adamantanedicarboxylate?

The InChIKey of Dimethyl 1,3-adamantanedicarboxylate is YXMDGBXGJKYMQL-UHFFFAOYSA-N.

What is the canonical SMILES of Dimethyl 1,3-adamantanedicarboxylate?

The canonical SMILES of Dimethyl 1,3-adamantanedicarboxylate is COC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)OC.

What is the molecular weight of Dimethyl 1,3-adamantanedicarboxylate?

The molecular weight of Dimethyl 1,3-adamantanedicarboxylate is 252.31 g/mol.

What is the XLogP3-AA value of Dimethyl 1,3-adamantanedicarboxylate?

The XLogP3-AA value of Dimethyl 1,3-adamantanedicarboxylate is 1.8.

How many hydrogen bond donor counts does Dimethyl 1,3-adamantanedicarboxylate have?

Dimethyl 1,3-adamantanedicarboxylate has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does Dimethyl 1,3-adamantanedicarboxylate have?

Dimethyl 1,3-adamantanedicarboxylate has 4 hydrogen bond acceptor counts.