heptyl methyl phosphate

C8H18O4P- — CID 22497569

IUPACheptyl methyl phosphate
SMILESCCCCCCCOP(=O)([O-])OC
InChIInChI=1S/C8H19O4P/c1-3-4-5-6-7-8-12-13(9,10)11-2/h3-8H2,1-2H3,(H,9,10)/p-1
InChIKeyYMRHNWOPOBYBPY-UHFFFAOYSA-M
MW209.20 g/mol
LogP2.09
Rot. Bonds8

About heptyl methyl phosphate

heptyl methyl phosphate (PubChem CID 22497569) has the molecular formula C8H18O4P- and a molecular weight of 209.20 g/mol. Its IUPAC name is heptyl methyl phosphate.

Molecular Properties

Compound Nameheptyl methyl phosphate
PubChem CID22497569
Molecular FormulaC8H18O4P-
Molecular Weight209.20 g/mol
Exact Mass209.09
IUPAC Nameheptyl methyl phosphate
SMILESCCCCCCCOP(=O)([O-])OC
InChIInChI=1S/C8H19O4P/c1-3-4-5-6-7-8-12-13(9,10)11-2/h3-8H2,1-2H3,(H,9,10)/p-1
InChIKeyYMRHNWOPOBYBPY-UHFFFAOYSA-M
XLogP2.09
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

heptyl methyl phosphate;1-methoxybutane
CID 160703471
diicosyl phosphate
CID 21219883
disodium bis(dioctadecyl phosphate)
CID 172826116
zinc bis(dinonyl phosphate)
CID 87237924
chromium(2+);dihexyl phosphate
CID 18626712
beryllium bis(dihexadecyl phosphate)
CID 102241208
2-[decoxy(oxido)phosphoryl]oxyethyl decyl phosphate
CID 102130313
azanium didecyl phosphate
CID 157179907
potassium dodecyl octyl phosphate
CID 175269895
calcium bis(dihexyl phosphate)
CID 159957382
bis(dioctyl phosphate);oxotitanium(2+)
CID 139722402
sodium butyl decyl phosphate
CID 174997110

Frequently Asked Questions

What is the IUPAC name of heptyl methyl phosphate?
The IUPAC name of heptyl methyl phosphate (CID 22497569) is heptyl methyl phosphate.
What is the SMILES notation for heptyl methyl phosphate?
The canonical SMILES for heptyl methyl phosphate is CCCCCCCOP(=O)([O-])OC.
What is the InChIKey of heptyl methyl phosphate?
The InChIKey is YMRHNWOPOBYBPY-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19O4P/c1-3-4-5-6-7-8-12-13(9,10)11-2/h3-8H2,1-2H3,(H,9,10)/p-1.
What are the key properties of heptyl methyl phosphate?
heptyl methyl phosphate has a molecular weight of 209.20 g/mol, XLogP of 2.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl methyl phosphate is sourced from PubChem (CID 22497569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).