butyl dihydrogen phosphate;methanamine;naphthalene

C15H24NO4P — CID 159050884

IUPACbutyl dihydrogen phosphate;methanamine;naphthalene
SMILESCCCCOP(=O)(O)O.CN.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C4H11O4P.CH5N/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-3-4-8-9(5,6)7;1-2/h1-8H;2-4H2,1H3,(H2,5,6,7);2H2,1H3
InChIKeyJXGDJACLSCOAOA-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.31
Rot. Bonds4

About butyl dihydrogen phosphate;methanamine;naphthalene

butyl dihydrogen phosphate;methanamine;naphthalene (PubChem CID 159050884) has the molecular formula C15H24NO4P and a molecular weight of 313.33 g/mol. Its IUPAC name is butyl dihydrogen phosphate;methanamine;naphthalene.

Molecular Properties

Compound Namebutyl dihydrogen phosphate;methanamine;naphthalene
PubChem CID159050884
Molecular FormulaC15H24NO4P
Molecular Weight313.33 g/mol
Exact Mass313.14
IUPAC Namebutyl dihydrogen phosphate;methanamine;naphthalene
SMILESCCCCOP(=O)(O)O.CN.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C4H11O4P.CH5N/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-3-4-8-9(5,6)7;1-2/h1-8H;2-4H2,1H3,(H2,5,6,7);2H2,1H3
InChIKeyJXGDJACLSCOAOA-UHFFFAOYSA-N
XLogP3.31
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.31
H-Bond Donors ≤ 53
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

azane;butyl dihydrogen phosphate
CID 173333807
azane;butyl dihydrogen phosphate;hydrochloride
CID 146307960
biphenylene;bis(dibutyl hydrogen phosphate)
CID 87094154
butyl dihydrogen phosphate;2-methylprop-1-ene
CID 162187619
octatriacontyl dihydrogen phosphate
CID 140979287
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
pentatriacontyl dihydrogen phosphate
CID 164897229
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
iron;octadecyl dihydrogen phosphate
CID 175059517
CID 170842594
CID 170842594
dodecyl dihydrogen phosphate;indigane
CID 173026750
azane;octadecyl dihydrogen phosphate
CID 87905459

Frequently Asked Questions

What is the IUPAC name of butyl dihydrogen phosphate;methanamine;naphthalene?
The IUPAC name of butyl dihydrogen phosphate;methanamine;naphthalene (CID 159050884) is butyl dihydrogen phosphate;methanamine;naphthalene.
What is the SMILES notation for butyl dihydrogen phosphate;methanamine;naphthalene?
The canonical SMILES for butyl dihydrogen phosphate;methanamine;naphthalene is CCCCOP(=O)(O)O.CN.c1ccc2ccccc2c1.
What is the InChIKey of butyl dihydrogen phosphate;methanamine;naphthalene?
The InChIKey is JXGDJACLSCOAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C4H11O4P.CH5N/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-3-4-8-9(5,6)7;1-2/h1-8H;2-4H2,1H3,(H2,5,6,7);2H2,1H3.
What are the key properties of butyl dihydrogen phosphate;methanamine;naphthalene?
butyl dihydrogen phosphate;methanamine;naphthalene has a molecular weight of 313.33 g/mol, XLogP of 3.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl dihydrogen phosphate;methanamine;naphthalene is sourced from PubChem (CID 159050884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).