3-[(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-methylphosphoryl]oxy-2,3-dimethylbutan-2-ol

C13H29O5P — CID 15461351

IUPAC3-[(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-methylphosphoryl]oxy-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)OP(C)(=O)OC(C)(C)C(C)(C)O
InChIInChI=1S/C13H29O5P/c1-10(2,14)12(5,6)17-19(9,16)18-13(7,8)11(3,4)15/h14-15H,1-9H3
InChIKeyZTSMXOZGKQGYTR-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.94
Rot. Bonds6

About 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-methylphosphoryl]oxy-2,3-dimethylbutan-2-ol

3-[(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-methylphosphoryl]oxy-2,3-dimethylbutan-2-ol (PubChem CID 15461351) has the molecular formula C13H29O5P and a molecular weight of 296.34 g/mol. Its IUPAC name is 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-methylphosphoryl]oxy-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-methylphosphoryl]oxy-2,3-dimethylbutan-2-ol
PubChem CID15461351
Molecular FormulaC13H29O5P
Molecular Weight296.34 g/mol
Exact Mass296.18
IUPAC Name3-[(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-methylphosphoryl]oxy-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)OP(C)(=O)OC(C)(C)C(C)(C)O
InChIInChI=1S/C13H29O5P/c1-10(2,14)12(5,6)17-19(9,16)18-13(7,8)11(3,4)15/h14-15H,1-9H3
InChIKeyZTSMXOZGKQGYTR-UHFFFAOYSA-N
XLogP2.94
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-methylphosphoryl]oxy-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-methylphosphoryl]oxy-2,3-dimethylbutan-2-ol (CID 15461351) is 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-methylphosphoryl]oxy-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-methylphosphoryl]oxy-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-methylphosphoryl]oxy-2,3-dimethylbutan-2-ol is CC(C)(O)C(C)(C)OP(C)(=O)OC(C)(C)C(C)(C)O.
What is the InChIKey of 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-methylphosphoryl]oxy-2,3-dimethylbutan-2-ol?
The InChIKey is ZTSMXOZGKQGYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29O5P/c1-10(2,14)12(5,6)17-19(9,16)18-13(7,8)11(3,4)15/h14-15H,1-9H3.
What are the key properties of 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-methylphosphoryl]oxy-2,3-dimethylbutan-2-ol?
3-[(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-methylphosphoryl]oxy-2,3-dimethylbutan-2-ol has a molecular weight of 296.34 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-methylphosphoryl]oxy-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 15461351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).