2,3-dimethyldecan-2-yl dihydrogen phosphate

C12H27O4P — CID 19995674

IUPAC2,3-dimethyldecan-2-yl dihydrogen phosphate
SMILESCCCCCCCC(C)C(C)(C)OP(=O)(O)O
InChIInChI=1S/C12H27O4P/c1-5-6-7-8-9-10-11(2)12(3,4)16-17(13,14)15/h11H,5-10H2,1-4H3,(H2,13,14,15)
InChIKeyWBXBGUJYCDZARI-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.87
Rot. Bonds9

About 2,3-dimethyldecan-2-yl dihydrogen phosphate

2,3-dimethyldecan-2-yl dihydrogen phosphate (PubChem CID 19995674) has the molecular formula C12H27O4P and a molecular weight of 266.32 g/mol. Its IUPAC name is 2,3-dimethyldecan-2-yl dihydrogen phosphate.

Molecular Properties

Compound Name2,3-dimethyldecan-2-yl dihydrogen phosphate
PubChem CID19995674
Molecular FormulaC12H27O4P
Molecular Weight266.32 g/mol
Exact Mass266.16
IUPAC Name2,3-dimethyldecan-2-yl dihydrogen phosphate
SMILESCCCCCCCC(C)C(C)(C)OP(=O)(O)O
InChIInChI=1S/C12H27O4P/c1-5-6-7-8-9-10-11(2)12(3,4)16-17(13,14)15/h11H,5-10H2,1-4H3,(H2,13,14,15)
InChIKeyWBXBGUJYCDZARI-UHFFFAOYSA-N
XLogP3.87
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tris(2,3-dimethylheptan-2-yl) phosphate
CID 87189657
2-(2,3-dimethyldecan-2-yloxy)-2,3-dimethyldecane
CID 18444100
5,6-dimethyldecan-5-yl dihydrogen phosphate
CID 87908950
2-methoxy-2,3-dimethylundecane
CID 150941081
bis(2,3-dimethylhexan-2-yl) hydrogen phosphate
CID 175385413
(6-methyl-7-pentyldodecan-6-yl) dihydrogen phosphate
CID 87097433
(2-hydroxy-2-methylundecan-3-yl) dihydrogen phosphate
CID 87438922
hexakis(decane);hydroxy dihydrogen phosphate
CID 173398841
2-amino-3-methylheptadecan-2-ol
CID 88695872
(10,14-diheptyl-12-propyltricosan-12-yl) dihydrogen phosphate
CID 18366357
2,3-dimethylnonadecan-2-ylsilane
CID 175060938
pentadecan-6-yl dihydrogen phosphate
CID 22719349

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyldecan-2-yl dihydrogen phosphate?
The IUPAC name of 2,3-dimethyldecan-2-yl dihydrogen phosphate (CID 19995674) is 2,3-dimethyldecan-2-yl dihydrogen phosphate.
What is the SMILES notation for 2,3-dimethyldecan-2-yl dihydrogen phosphate?
The canonical SMILES for 2,3-dimethyldecan-2-yl dihydrogen phosphate is CCCCCCCC(C)C(C)(C)OP(=O)(O)O.
What is the InChIKey of 2,3-dimethyldecan-2-yl dihydrogen phosphate?
The InChIKey is WBXBGUJYCDZARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O4P/c1-5-6-7-8-9-10-11(2)12(3,4)16-17(13,14)15/h11H,5-10H2,1-4H3,(H2,13,14,15).
What are the key properties of 2,3-dimethyldecan-2-yl dihydrogen phosphate?
2,3-dimethyldecan-2-yl dihydrogen phosphate has a molecular weight of 266.32 g/mol, XLogP of 3.87, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyldecan-2-yl dihydrogen phosphate is sourced from PubChem (CID 19995674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).