decyl 2-hydroxyethyl propyl phosphate

C15H33O5P — CID 151935129

IUPACdecyl 2-hydroxyethyl propyl phosphate
SMILESCCCCCCCCCCOP(=O)(OCCC)OCCO
InChIInChI=1S/C15H33O5P/c1-3-5-6-7-8-9-10-11-14-19-21(17,18-13-4-2)20-15-12-16/h16H,3-15H2,1-2H3
InChIKeySZPYKMWYUHHIQI-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.69
Rot. Bonds16

About decyl 2-hydroxyethyl propyl phosphate

decyl 2-hydroxyethyl propyl phosphate (PubChem CID 151935129) has the molecular formula C15H33O5P and a molecular weight of 324.40 g/mol. Its IUPAC name is decyl 2-hydroxyethyl propyl phosphate.

Molecular Properties

Compound Namedecyl 2-hydroxyethyl propyl phosphate
PubChem CID151935129
Molecular FormulaC15H33O5P
Molecular Weight324.40 g/mol
Exact Mass324.21
IUPAC Namedecyl 2-hydroxyethyl propyl phosphate
SMILESCCCCCCCCCCOP(=O)(OCCC)OCCO
InChIInChI=1S/C15H33O5P/c1-3-5-6-7-8-9-10-11-14-19-21(17,18-13-4-2)20-15-12-16/h16H,3-15H2,1-2H3
InChIKeySZPYKMWYUHHIQI-UHFFFAOYSA-N
XLogP4.69
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-hydroxyethyl ditridecyl phosphate
CID 86141691
diheptyl propyl phosphate
CID 22497721
diheptyl hexyl phosphate
CID 175578950
dodecyl dioctyl phosphate
CID 57134013
potassium tris-decyl phosphate
CID 21118666
methane;trioctyl phosphate
CID 174464331
alumane;trioctyl phosphate
CID 175071420
dibutyl decyl phosphate
CID 19784867
butyl dihexyl phosphate
CID 22497695
azane;hexadecyl 2-hydroxyethyl hydrogen phosphate
CID 173341052
dodecyl hydroxy propyl phosphate
CID 21291111
azane;didodecyl ethyl phosphate
CID 170436215

Frequently Asked Questions

What is the IUPAC name of decyl 2-hydroxyethyl propyl phosphate?
The IUPAC name of decyl 2-hydroxyethyl propyl phosphate (CID 151935129) is decyl 2-hydroxyethyl propyl phosphate.
What is the SMILES notation for decyl 2-hydroxyethyl propyl phosphate?
The canonical SMILES for decyl 2-hydroxyethyl propyl phosphate is CCCCCCCCCCOP(=O)(OCCC)OCCO.
What is the InChIKey of decyl 2-hydroxyethyl propyl phosphate?
The InChIKey is SZPYKMWYUHHIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33O5P/c1-3-5-6-7-8-9-10-11-14-19-21(17,18-13-4-2)20-15-12-16/h16H,3-15H2,1-2H3.
What are the key properties of decyl 2-hydroxyethyl propyl phosphate?
decyl 2-hydroxyethyl propyl phosphate has a molecular weight of 324.40 g/mol, XLogP of 4.69, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-hydroxyethyl propyl phosphate is sourced from PubChem (CID 151935129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).