pentan-3-yl propyl hydrogen phosphate

C8H19O4P — CID 151314588

IUPACpentan-3-yl propyl hydrogen phosphate
SMILESCCCOP(=O)(O)OC(CC)CC
InChIInChI=1S/C8H19O4P/c1-4-7-11-13(9,10)12-8(5-2)6-3/h8H,4-7H2,1-3H3,(H,9,10)
InChIKeyOFDIQLDTJDIBFC-UHFFFAOYSA-N
MW210.21 g/mol
LogP2.72
Rot. Bonds7

About pentan-3-yl propyl hydrogen phosphate

pentan-3-yl propyl hydrogen phosphate (PubChem CID 151314588) has the molecular formula C8H19O4P and a molecular weight of 210.21 g/mol. Its IUPAC name is pentan-3-yl propyl hydrogen phosphate.

Molecular Properties

Compound Namepentan-3-yl propyl hydrogen phosphate
PubChem CID151314588
Molecular FormulaC8H19O4P
Molecular Weight210.21 g/mol
Exact Mass210.10
IUPAC Namepentan-3-yl propyl hydrogen phosphate
SMILESCCCOP(=O)(O)OC(CC)CC
InChIInChI=1S/C8H19O4P/c1-4-7-11-13(9,10)12-8(5-2)6-3/h8H,4-7H2,1-3H3,(H,9,10)
InChIKeyOFDIQLDTJDIBFC-UHFFFAOYSA-N
XLogP2.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[hydroxy(pentan-3-yloxy)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl propyl hydrogen phosphate
CID 134318658
nonan-5-yl octadecyl hydrogen phosphate
CID 89345208
icosyl nonadecan-10-yl hydrogen phosphate
CID 54370595
2-[ethoxy(hydroxy)phosphoryl]oxybutyl-trimethylazanium
CID 150212741
[hydroxy(pentan-3-yloxy)phosphoryl]oxymethyl prop-2-enoate
CID 175583316
diheptan-4-yl hydrogen phosphate
CID 22497552
didecan-3-yl hydrogen phosphate
CID 22497654
[hydroxy(propoxy)phosphoryl]oxy-trimethylazanium
CID 154512469
6-[hexadecoxy(hydroxy)phosphoryl]oxyhexyl propan-2-yl hydrogen phosphate
CID 153443822
dibutyl hydrogen phosphate
CID 158586372
decyl propyl hydrogen phosphate
CID 87587050
1,3-bis[5-[1,3-bis[5-[hydroxy(propoxy)phosphoryl]oxypentanoylamino]propan-2-yloxy-hydroxyphosphoryl]oxypentanoylamino]propan-2-yl methyl hydrogen phosphate
CID 153492878

Frequently Asked Questions

What is the IUPAC name of pentan-3-yl propyl hydrogen phosphate?
The IUPAC name of pentan-3-yl propyl hydrogen phosphate (CID 151314588) is pentan-3-yl propyl hydrogen phosphate.
What is the SMILES notation for pentan-3-yl propyl hydrogen phosphate?
The canonical SMILES for pentan-3-yl propyl hydrogen phosphate is CCCOP(=O)(O)OC(CC)CC.
What is the InChIKey of pentan-3-yl propyl hydrogen phosphate?
The InChIKey is OFDIQLDTJDIBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O4P/c1-4-7-11-13(9,10)12-8(5-2)6-3/h8H,4-7H2,1-3H3,(H,9,10).
What are the key properties of pentan-3-yl propyl hydrogen phosphate?
pentan-3-yl propyl hydrogen phosphate has a molecular weight of 210.21 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-3-yl propyl hydrogen phosphate is sourced from PubChem (CID 151314588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).