1-O-methyl 5-O-tritio 2,2,4,4-tetramethylpentanedioate

C10H18O4 — CID 59391608

IUPAC1-O-methyl 5-O-tritio 2,2,4,4-tetramethylpentanedioate
SMILES[3H]OC(=O)C(C)(C)CC(C)(C)C(=O)OC
InChIInChI=1S/C10H18O4/c1-9(2,7(11)12)6-10(3,4)8(13)14-5/h6H2,1-5H3,(H,11,12)/i/hT
InChIKeyVGIFTPLHSTYUQS-MNYXATJNSA-N
MW204.26 g/mol
LogP1.69
Rot. Bonds4

About 1-O-methyl 5-O-tritio 2,2,4,4-tetramethylpentanedioate

1-O-methyl 5-O-tritio 2,2,4,4-tetramethylpentanedioate (PubChem CID 59391608) has the molecular formula C10H18O4 and a molecular weight of 204.26 g/mol. Its IUPAC name is 1-O-methyl 5-O-tritio 2,2,4,4-tetramethylpentanedioate.

Molecular Properties

Compound Name1-O-methyl 5-O-tritio 2,2,4,4-tetramethylpentanedioate
PubChem CID59391608
Molecular FormulaC10H18O4
Molecular Weight204.26 g/mol
Exact Mass204.13
IUPAC Name1-O-methyl 5-O-tritio 2,2,4,4-tetramethylpentanedioate
SMILES[3H]OC(=O)C(C)(C)CC(C)(C)C(=O)OC
InChIInChI=1S/C10H18O4/c1-9(2,7(11)12)6-10(3,4)8(13)14-5/h6H2,1-5H3,(H,11,12)/i/hT
InChIKeyVGIFTPLHSTYUQS-MNYXATJNSA-N
XLogP1.69
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-O-methyl 5-O-tritio 2,2,4,4-tetramethylpentanedioate?
The IUPAC name of 1-O-methyl 5-O-tritio 2,2,4,4-tetramethylpentanedioate (CID 59391608) is 1-O-methyl 5-O-tritio 2,2,4,4-tetramethylpentanedioate.
What is the SMILES notation for 1-O-methyl 5-O-tritio 2,2,4,4-tetramethylpentanedioate?
The canonical SMILES for 1-O-methyl 5-O-tritio 2,2,4,4-tetramethylpentanedioate is [3H]OC(=O)C(C)(C)CC(C)(C)C(=O)OC.
What is the InChIKey of 1-O-methyl 5-O-tritio 2,2,4,4-tetramethylpentanedioate?
The InChIKey is VGIFTPLHSTYUQS-MNYXATJNSA-N. The full InChI is InChI=1S/C10H18O4/c1-9(2,7(11)12)6-10(3,4)8(13)14-5/h6H2,1-5H3,(H,11,12)/i/hT.
What are the key properties of 1-O-methyl 5-O-tritio 2,2,4,4-tetramethylpentanedioate?
1-O-methyl 5-O-tritio 2,2,4,4-tetramethylpentanedioate has a molecular weight of 204.26 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 5-O-tritio 2,2,4,4-tetramethylpentanedioate is sourced from PubChem (CID 59391608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).