dodecyl hydroxy propyl phosphate

C15H33O5P — CID 21291111

IUPACdodecyl hydroxy propyl phosphate
SMILESCCCCCCCCCCCCOP(=O)(OO)OCCC
InChIInChI=1S/C15H33O5P/c1-3-5-6-7-8-9-10-11-12-13-15-19-21(17,20-16)18-14-4-2/h16H,3-15H2,1-2H3
InChIKeyRCVCNFJNZUYOGY-UHFFFAOYSA-N
MW324.40 g/mol
LogP5.95
Rot. Bonds16

About dodecyl hydroxy propyl phosphate

dodecyl hydroxy propyl phosphate (PubChem CID 21291111) has the molecular formula C15H33O5P and a molecular weight of 324.40 g/mol. Its IUPAC name is dodecyl hydroxy propyl phosphate.

Molecular Properties

Compound Namedodecyl hydroxy propyl phosphate
PubChem CID21291111
Molecular FormulaC15H33O5P
Molecular Weight324.40 g/mol
Exact Mass324.21
IUPAC Namedodecyl hydroxy propyl phosphate
SMILESCCCCCCCCCCCCOP(=O)(OO)OCCC
InChIInChI=1S/C15H33O5P/c1-3-5-6-7-8-9-10-11-12-13-15-19-21(17,20-16)18-14-4-2/h16H,3-15H2,1-2H3
InChIKeyRCVCNFJNZUYOGY-UHFFFAOYSA-N
XLogP5.95
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.40
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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
decyl 2-hydroxyethyl propyl phosphate
CID 151935129
2-hydroxyethyl ditridecyl phosphate
CID 86141691
decyl propyl hydrogen phosphate
CID 87587050
dodecyl phosphono tetradecyl phosphate
CID 175243600

Frequently Asked Questions

What is the IUPAC name of dodecyl hydroxy propyl phosphate?
The IUPAC name of dodecyl hydroxy propyl phosphate (CID 21291111) is dodecyl hydroxy propyl phosphate.
What is the SMILES notation for dodecyl hydroxy propyl phosphate?
The canonical SMILES for dodecyl hydroxy propyl phosphate is CCCCCCCCCCCCOP(=O)(OO)OCCC.
What is the InChIKey of dodecyl hydroxy propyl phosphate?
The InChIKey is RCVCNFJNZUYOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33O5P/c1-3-5-6-7-8-9-10-11-12-13-15-19-21(17,20-16)18-14-4-2/h16H,3-15H2,1-2H3.
What are the key properties of dodecyl hydroxy propyl phosphate?
dodecyl hydroxy propyl phosphate has a molecular weight of 324.40 g/mol, XLogP of 5.95, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl hydroxy propyl phosphate is sourced from PubChem (CID 21291111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).