5,6-dimethyldecan-5-yl dihydrogen phosphate

C12H27O4P — CID 87908950

IUPAC5,6-dimethyldecan-5-yl dihydrogen phosphate
SMILESCCCCC(C)C(C)(CCCC)OP(=O)(O)O
InChIInChI=1S/C12H27O4P/c1-5-7-9-11(3)12(4,10-8-6-2)16-17(13,14)15/h11H,5-10H2,1-4H3,(H2,13,14,15)
InChIKeyCYVKXNRSPYSNOV-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.87
Rot. Bonds9

About 5,6-dimethyldecan-5-yl dihydrogen phosphate

5,6-dimethyldecan-5-yl dihydrogen phosphate (PubChem CID 87908950) has the molecular formula C12H27O4P and a molecular weight of 266.32 g/mol. Its IUPAC name is 5,6-dimethyldecan-5-yl dihydrogen phosphate.

Molecular Properties

Compound Name5,6-dimethyldecan-5-yl dihydrogen phosphate
PubChem CID87908950
Molecular FormulaC12H27O4P
Molecular Weight266.32 g/mol
Exact Mass266.16
IUPAC Name5,6-dimethyldecan-5-yl dihydrogen phosphate
SMILESCCCCC(C)C(C)(CCCC)OP(=O)(O)O
InChIInChI=1S/C12H27O4P/c1-5-7-9-11(3)12(4,10-8-6-2)16-17(13,14)15/h11H,5-10H2,1-4H3,(H2,13,14,15)
InChIKeyCYVKXNRSPYSNOV-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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(6-methyl-7-pentyldodecan-6-yl) dihydrogen phosphate
CID 87097433
2,3-dimethyldecan-2-yl dihydrogen phosphate
CID 19995674
3-methylheptan-3-yl dihydrogen phosphate
CID 152563174
tris(2,3-dimethylheptan-2-yl) phosphate
CID 87189657
(10,14-diheptyl-12-propyltricosan-12-yl) dihydrogen phosphate
CID 18366357
5-hydroxytridecan-5-yl dihydrogen phosphate
CID 141376782
2,2-dimethylheptan-3-yl dihydrogen phosphate
CID 151613956
(6-ethyl-5-propylundecan-5-yl) dihydrogen phosphate
CID 87344342
bis(2,3-dimethylhexan-2-yl) hydrogen phosphate
CID 175385413
phosphoric acid;tributyl(methyl)phosphanium
CID 166680840
[hydroxy(phosphonooxy)phosphoryl]oxy-(4-methyloctan-4-yl)phosphinic acid
CID 174348887
methoxy(trifluoromethyl)phosphinic acid;tributyl(methyl)phosphanium
CID 158242345

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyldecan-5-yl dihydrogen phosphate?
The IUPAC name of 5,6-dimethyldecan-5-yl dihydrogen phosphate (CID 87908950) is 5,6-dimethyldecan-5-yl dihydrogen phosphate.
What is the SMILES notation for 5,6-dimethyldecan-5-yl dihydrogen phosphate?
The canonical SMILES for 5,6-dimethyldecan-5-yl dihydrogen phosphate is CCCCC(C)C(C)(CCCC)OP(=O)(O)O.
What is the InChIKey of 5,6-dimethyldecan-5-yl dihydrogen phosphate?
The InChIKey is CYVKXNRSPYSNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O4P/c1-5-7-9-11(3)12(4,10-8-6-2)16-17(13,14)15/h11H,5-10H2,1-4H3,(H2,13,14,15).
What are the key properties of 5,6-dimethyldecan-5-yl dihydrogen phosphate?
5,6-dimethyldecan-5-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 5,6-dimethyldecan-5-yl dihydrogen phosphate is sourced from PubChem (CID 87908950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).