cyclohexyl decyl phosphate

C16H32O4P- — CID 23362679

IUPACcyclohexyl decyl phosphate
SMILESCCCCCCCCCCOP(=O)([O-])OC1CCCCC1
InChIInChI=1S/C16H33O4P/c1-2-3-4-5-6-7-8-12-15-19-21(17,18)20-16-13-10-9-11-14-16/h16H,2-15H2,1H3,(H,17,18)/p-1
InChIKeyOKVHVEPBISVFHR-UHFFFAOYSA-M
MW319.40 g/mol
LogP4.96
Rot. Bonds12

About cyclohexyl decyl phosphate

cyclohexyl decyl phosphate (PubChem CID 23362679) has the molecular formula C16H32O4P- and a molecular weight of 319.40 g/mol. Its IUPAC name is cyclohexyl decyl phosphate.

Molecular Properties

Compound Namecyclohexyl decyl phosphate
PubChem CID23362679
Molecular FormulaC16H32O4P-
Molecular Weight319.40 g/mol
Exact Mass319.20
IUPAC Namecyclohexyl decyl phosphate
SMILESCCCCCCCCCCOP(=O)([O-])OC1CCCCC1
InChIInChI=1S/C16H33O4P/c1-2-3-4-5-6-7-8-12-15-19-21(17,18)20-16-13-10-9-11-14-16/h16H,2-15H2,1H3,(H,17,18)/p-1
InChIKeyOKVHVEPBISVFHR-UHFFFAOYSA-M
XLogP4.96
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.96
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

(1,1-dimethylazepan-1-ium-4-yl) icosyl phosphate
CID 58922735
(1,1-dimethylpiperidin-1-ium-4-yl) icosyl phosphate
CID 58922584
cyclohexyl nonyl hydrogen phosphate
CID 163645473
diicosyl phosphate
CID 21219883
zinc bis(dinonyl phosphate)
CID 87237924
disodium bis(dioctadecyl phosphate)
CID 172826116
beryllium bis(dihexadecyl phosphate)
CID 102241208
chromium(2+);dihexyl phosphate
CID 18626712
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

Frequently Asked Questions

What is the IUPAC name of cyclohexyl decyl phosphate?
The IUPAC name of cyclohexyl decyl phosphate (CID 23362679) is cyclohexyl decyl phosphate.
What is the SMILES notation for cyclohexyl decyl phosphate?
The canonical SMILES for cyclohexyl decyl phosphate is CCCCCCCCCCOP(=O)([O-])OC1CCCCC1.
What is the InChIKey of cyclohexyl decyl phosphate?
The InChIKey is OKVHVEPBISVFHR-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H33O4P/c1-2-3-4-5-6-7-8-12-15-19-21(17,18)20-16-13-10-9-11-14-16/h16H,2-15H2,1H3,(H,17,18)/p-1.
What are the key properties of cyclohexyl decyl phosphate?
cyclohexyl decyl phosphate has a molecular weight of 319.40 g/mol, XLogP of 4.96, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl decyl phosphate is sourced from PubChem (CID 23362679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).