butyl dihydrogen phosphate;2-methylprop-1-ene

C8H19O4P — CID 162187619

IUPACbutyl dihydrogen phosphate;2-methylprop-1-ene
SMILESC=C(C)C.CCCCOP(=O)(O)O
InChIInChI=1S/C4H11O4P.C4H8/c1-2-3-4-8-9(5,6)7;1-4(2)3/h2-4H2,1H3,(H2,5,6,7);1H2,2-3H3
InChIKeyZPWDDWWNAIUEIL-UHFFFAOYSA-N
MW210.21 g/mol
LogP2.48
Rot. Bonds4

About butyl dihydrogen phosphate;2-methylprop-1-ene

butyl dihydrogen phosphate;2-methylprop-1-ene (PubChem CID 162187619) has the molecular formula C8H19O4P and a molecular weight of 210.21 g/mol. Its IUPAC name is butyl dihydrogen phosphate;2-methylprop-1-ene.

Molecular Properties

Compound Namebutyl dihydrogen phosphate;2-methylprop-1-ene
PubChem CID162187619
Molecular FormulaC8H19O4P
Molecular Weight210.21 g/mol
Exact Mass210.10
IUPAC Namebutyl dihydrogen phosphate;2-methylprop-1-ene
SMILESC=C(C)C.CCCCOP(=O)(O)O
InChIInChI=1S/C4H11O4P.C4H8/c1-2-3-4-8-9(5,6)7;1-4(2)3/h2-4H2,1H3,(H2,5,6,7);1H2,2-3H3
InChIKeyZPWDDWWNAIUEIL-UHFFFAOYSA-N
XLogP2.48
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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
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
3-methylbuta-1,2-diene;pentyl dihydrogen phosphate
CID 175279648
iron;octadecyl dihydrogen phosphate
CID 175059517
dodecyl dihydrogen phosphate;indigane
CID 173026750
CID 170842594
CID 170842594
azane;octadecyl dihydrogen phosphate
CID 87905459
CID 170843971
CID 170843971

Frequently Asked Questions

What is the IUPAC name of butyl dihydrogen phosphate;2-methylprop-1-ene?
The IUPAC name of butyl dihydrogen phosphate;2-methylprop-1-ene (CID 162187619) is butyl dihydrogen phosphate;2-methylprop-1-ene.
What is the SMILES notation for butyl dihydrogen phosphate;2-methylprop-1-ene?
The canonical SMILES for butyl dihydrogen phosphate;2-methylprop-1-ene is C=C(C)C.CCCCOP(=O)(O)O.
What is the InChIKey of butyl dihydrogen phosphate;2-methylprop-1-ene?
The InChIKey is ZPWDDWWNAIUEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O4P.C4H8/c1-2-3-4-8-9(5,6)7;1-4(2)3/h2-4H2,1H3,(H2,5,6,7);1H2,2-3H3.
What are the key properties of butyl dihydrogen phosphate;2-methylprop-1-ene?
butyl dihydrogen phosphate;2-methylprop-1-ene has a molecular weight of 210.21 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl dihydrogen phosphate;2-methylprop-1-ene is sourced from PubChem (CID 162187619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).