1-dichlorophosphoryloxyoctadecane

C18H37Cl2O2P — CID 88757359

IUPAC1-dichlorophosphoryloxyoctadecane
SMILESCCCCCCCCCCCCCCCCCCOP(=O)(Cl)Cl
InChIInChI=1S/C18H37Cl2O2P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h2-18H2,1H3
InChIKeySLBBCUJCWJODHJ-UHFFFAOYSA-N
MW387.37 g/mol
LogP8.85
Rot. Bonds18

About 1-dichlorophosphoryloxyoctadecane

1-dichlorophosphoryloxyoctadecane (PubChem CID 88757359) has the molecular formula C18H37Cl2O2P and a molecular weight of 387.37 g/mol. Its IUPAC name is 1-dichlorophosphoryloxyoctadecane.

Molecular Properties

Compound Name1-dichlorophosphoryloxyoctadecane
PubChem CID88757359
Molecular FormulaC18H37Cl2O2P
Molecular Weight387.37 g/mol
Exact Mass386.19
IUPAC Name1-dichlorophosphoryloxyoctadecane
SMILESCCCCCCCCCCCCCCCCCCOP(=O)(Cl)Cl
InChIInChI=1S/C18H37Cl2O2P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h2-18H2,1H3
InChIKeySLBBCUJCWJODHJ-UHFFFAOYSA-N
XLogP8.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.37
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-[chloro(methyl)phosphoryl]oxyheptane
CID 13173235
1-[chloro(ethyl)phosphoryl]oxydecane
CID 98517423
dodecyl dioctyl phosphate
CID 57134013
diheptyl hexyl phosphate
CID 175578950
beryllium bis(dihexadecyl phosphate)
CID 102241208
potassium tris-decyl phosphate
CID 21118666
diheptyl propyl phosphate
CID 22497721
methane;trioctyl phosphate
CID 174464331
1-[methyl(octoxy)phosphoryl]oxyoctane
CID 15779
alumane;trioctyl phosphate
CID 175071420
dibutyl decyl phosphate
CID 19784867
butyl dihexyl phosphate
CID 22497695

Frequently Asked Questions

What is the IUPAC name of 1-dichlorophosphoryloxyoctadecane?
The IUPAC name of 1-dichlorophosphoryloxyoctadecane (CID 88757359) is 1-dichlorophosphoryloxyoctadecane.
What is the SMILES notation for 1-dichlorophosphoryloxyoctadecane?
The canonical SMILES for 1-dichlorophosphoryloxyoctadecane is CCCCCCCCCCCCCCCCCCOP(=O)(Cl)Cl.
What is the InChIKey of 1-dichlorophosphoryloxyoctadecane?
The InChIKey is SLBBCUJCWJODHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37Cl2O2P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h2-18H2,1H3.
What are the key properties of 1-dichlorophosphoryloxyoctadecane?
1-dichlorophosphoryloxyoctadecane has a molecular weight of 387.37 g/mol, XLogP of 8.85, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dichlorophosphoryloxyoctadecane is sourced from PubChem (CID 88757359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).