(2,3-dimethyl-2-phosphonooxypentan-3-yl) dihydrogen phosphate

C7H18O8P2 — CID 87919109

IUPAC(2,3-dimethyl-2-phosphonooxypentan-3-yl) dihydrogen phosphate
SMILESCCC(C)(OP(=O)(O)O)C(C)(C)OP(=O)(O)O
InChIInChI=1S/C7H18O8P2/c1-5-7(4,15-17(11,12)13)6(2,3)14-16(8,9)10/h5H2,1-4H3,(H2,8,9,10)(H2,11,12,13)
InChIKeyVFIHKDJWTAERPC-UHFFFAOYSA-N
MW292.16 g/mol
LogP1.15
Rot. Bonds6

About (2,3-dimethyl-2-phosphonooxypentan-3-yl) dihydrogen phosphate

(2,3-dimethyl-2-phosphonooxypentan-3-yl) dihydrogen phosphate (PubChem CID 87919109) has the molecular formula C7H18O8P2 and a molecular weight of 292.16 g/mol. Its IUPAC name is (2,3-dimethyl-2-phosphonooxypentan-3-yl) dihydrogen phosphate.

Molecular Properties

Compound Name(2,3-dimethyl-2-phosphonooxypentan-3-yl) dihydrogen phosphate
PubChem CID87919109
Molecular FormulaC7H18O8P2
Molecular Weight292.16 g/mol
Exact Mass292.05
IUPAC Name(2,3-dimethyl-2-phosphonooxypentan-3-yl) dihydrogen phosphate
SMILESCCC(C)(OP(=O)(O)O)C(C)(C)OP(=O)(O)O
InChIInChI=1S/C7H18O8P2/c1-5-7(4,15-17(11,12)13)6(2,3)14-16(8,9)10/h5H2,1-4H3,(H2,8,9,10)(H2,11,12,13)
InChIKeyVFIHKDJWTAERPC-UHFFFAOYSA-N
XLogP1.15
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2,3-dimethyl-2-phosphonooxypentan-3-yl) dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methylheptan-3-yl dihydrogen phosphate
CID 152563174
sodium;1,1-diethoxyethyl dihydrogen phosphate;hydride
CID 175400534
(1,1,1,2,3,4-hexachloro-3-methylbutan-2-yl) dihydrogen phosphate
CID 175190839
(1,3-dihydroxy-2-methyl-4-phosphonooxybutan-2-yl) dihydrogen phosphate
CID 146425126
ethyl-[(2-methylpropan-2-yl)oxy]phosphinic acid
CID 139581745
(3-iodo-2,2,4,4-tetramethylpentan-3-yl) dihydrogen phosphate
CID 151636564
alumane;ethyl dihydrogen phosphate
CID 173113989
azane;bis(ethyl dihydrogen phosphate)
CID 174611775
alumane;tris(ethyl dihydrogen phosphate)
CID 173189565
CID 87495286
CID 87495286
(2-heptyl-2-methylnonyl) dihydrogen phosphate
CID 174137085
2,2-difluorobutyl dihydrogen phosphate
CID 151010291

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-2-phosphonooxypentan-3-yl) dihydrogen phosphate?
The IUPAC name of (2,3-dimethyl-2-phosphonooxypentan-3-yl) dihydrogen phosphate (CID 87919109) is (2,3-dimethyl-2-phosphonooxypentan-3-yl) dihydrogen phosphate.
What is the SMILES notation for (2,3-dimethyl-2-phosphonooxypentan-3-yl) dihydrogen phosphate?
The canonical SMILES for (2,3-dimethyl-2-phosphonooxypentan-3-yl) dihydrogen phosphate is CCC(C)(OP(=O)(O)O)C(C)(C)OP(=O)(O)O.
What is the InChIKey of (2,3-dimethyl-2-phosphonooxypentan-3-yl) dihydrogen phosphate?
The InChIKey is VFIHKDJWTAERPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18O8P2/c1-5-7(4,15-17(11,12)13)6(2,3)14-16(8,9)10/h5H2,1-4H3,(H2,8,9,10)(H2,11,12,13).
What are the key properties of (2,3-dimethyl-2-phosphonooxypentan-3-yl) dihydrogen phosphate?
(2,3-dimethyl-2-phosphonooxypentan-3-yl) dihydrogen phosphate has a molecular weight of 292.16 g/mol, XLogP of 1.15, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-2-phosphonooxypentan-3-yl) dihydrogen phosphate is sourced from PubChem (CID 87919109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).