dibutyl decyl phosphate

C18H39O4P — CID 19784867

IUPACdibutyl decyl phosphate
SMILESCCCCCCCCCCOP(=O)(OCCCC)OCCCC
InChIInChI=1S/C18H39O4P/c1-4-7-10-11-12-13-14-15-18-22-23(19,20-16-8-5-2)21-17-9-6-3/h4-18H2,1-3H3
InChIKeyRLXWDKOXVQQBEW-UHFFFAOYSA-N
MW350.48 g/mol
LogP6.89
Rot. Bonds18

About dibutyl decyl phosphate

dibutyl decyl phosphate (PubChem CID 19784867) has the molecular formula C18H39O4P and a molecular weight of 350.48 g/mol. Its IUPAC name is dibutyl decyl phosphate.

Molecular Properties

Compound Namedibutyl decyl phosphate
PubChem CID19784867
Molecular FormulaC18H39O4P
Molecular Weight350.48 g/mol
Exact Mass350.26
IUPAC Namedibutyl decyl phosphate
SMILESCCCCCCCCCCOP(=O)(OCCCC)OCCCC
InChIInChI=1S/C18H39O4P/c1-4-7-10-11-12-13-14-15-18-22-23(19,20-16-8-5-2)21-17-9-6-3/h4-18H2,1-3H3
InChIKeyRLXWDKOXVQQBEW-UHFFFAOYSA-N
XLogP6.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.48
LogP ≤ 56.89
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

butyl dihexyl phosphate
CID 22497695
dodecyl dioctyl phosphate
CID 57134013
diheptyl hexyl phosphate
CID 175578950
diheptyl propyl phosphate
CID 22497721
potassium tris-decyl phosphate
CID 21118666
methane;trioctyl phosphate
CID 174464331
alumane;trioctyl phosphate
CID 175071420
tributyl phosphate;trihydrochloride
CID 173157313
terbium;tributyl phosphate
CID 90187591
europium;tributyl phosphate
CID 90187569
tris(3-pentadecoxypropyl) phosphate
CID 126525532
azane;didodecyl ethyl phosphate
CID 170436215

Frequently Asked Questions

What is the IUPAC name of dibutyl decyl phosphate?
The IUPAC name of dibutyl decyl phosphate (CID 19784867) is dibutyl decyl phosphate.
What is the SMILES notation for dibutyl decyl phosphate?
The canonical SMILES for dibutyl decyl phosphate is CCCCCCCCCCOP(=O)(OCCCC)OCCCC.
What is the InChIKey of dibutyl decyl phosphate?
The InChIKey is RLXWDKOXVQQBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39O4P/c1-4-7-10-11-12-13-14-15-18-22-23(19,20-16-8-5-2)21-17-9-6-3/h4-18H2,1-3H3.
What are the key properties of dibutyl decyl phosphate?
dibutyl decyl phosphate has a molecular weight of 350.48 g/mol, XLogP of 6.89, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl decyl phosphate is sourced from PubChem (CID 19784867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).