decane;phosphono dihydrogen phosphate

C10H26O7P2 — CID 157375636

IUPACdecane;phosphono dihydrogen phosphate
SMILESCCCCCCCCCC.O=P(O)(O)OP(=O)(O)O
InChIInChI=1S/C10H22.H4O7P2/c1-3-5-7-9-10-8-6-4-2;1-8(2,3)7-9(4,5)6/h3-10H2,1-2H3;(H2,1,2,3)(H2,4,5,6)
InChIKeyBKHIYRMCROOHFS-UHFFFAOYSA-N
MW320.26 g/mol
LogP3.34
Rot. Bonds9

About decane;phosphono dihydrogen phosphate

decane;phosphono dihydrogen phosphate (PubChem CID 157375636) has the molecular formula C10H26O7P2 and a molecular weight of 320.26 g/mol. Its IUPAC name is decane;phosphono dihydrogen phosphate.

Molecular Properties

Compound Namedecane;phosphono dihydrogen phosphate
PubChem CID157375636
Molecular FormulaC10H26O7P2
Molecular Weight320.26 g/mol
Exact Mass320.12
IUPAC Namedecane;phosphono dihydrogen phosphate
SMILESCCCCCCCCCC.O=P(O)(O)OP(=O)(O)O
InChIInChI=1S/C10H22.H4O7P2/c1-3-5-7-9-10-8-6-4-2;1-8(2,3)7-9(4,5)6/h3-10H2,1-2H3;(H2,1,2,3)(H2,4,5,6)
InChIKeyBKHIYRMCROOHFS-UHFFFAOYSA-N
XLogP3.34
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 53.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

phosphono dihydrogen phosphate;1-tridecoxytridecane
CID 174553837
tetrakis(N,N-dioctyloctan-1-amine);phosphono dihydrogen phosphate
CID 173362239
hydron;phosphono dihydrogen phosphate;tetrabutylazanium
CID 146237417
hexakis(decane);hydroxy dihydrogen phosphate
CID 173398841
dodecane;phosphoric acid
CID 88801558
dodecyl phosphono tetradecyl phosphate
CID 175243600
dihexyl phosphono phosphate
CID 87086295
heptyl nonyl phosphono phosphate
CID 174822042
ethanol;hexadecyl dihydrogen phosphate
CID 174523308
1-bromopropane;phosphono dihydrogen phosphate
CID 175963384
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233

Frequently Asked Questions

What is the IUPAC name of decane;phosphono dihydrogen phosphate?
The IUPAC name of decane;phosphono dihydrogen phosphate (CID 157375636) is decane;phosphono dihydrogen phosphate.
What is the SMILES notation for decane;phosphono dihydrogen phosphate?
The canonical SMILES for decane;phosphono dihydrogen phosphate is CCCCCCCCCC.O=P(O)(O)OP(=O)(O)O.
What is the InChIKey of decane;phosphono dihydrogen phosphate?
The InChIKey is BKHIYRMCROOHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.H4O7P2/c1-3-5-7-9-10-8-6-4-2;1-8(2,3)7-9(4,5)6/h3-10H2,1-2H3;(H2,1,2,3)(H2,4,5,6).
What are the key properties of decane;phosphono dihydrogen phosphate?
decane;phosphono dihydrogen phosphate has a molecular weight of 320.26 g/mol, XLogP of 3.34, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decane;phosphono dihydrogen phosphate is sourced from PubChem (CID 157375636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).