dicyclohexyl ethenyl phosphate

C14H25O4P — CID 152633991

IUPACdicyclohexyl ethenyl phosphate
SMILESC=COP(=O)(OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C14H25O4P/c1-2-16-19(15,17-13-9-5-3-6-10-13)18-14-11-7-4-8-12-14/h2,13-14H,1,3-12H2
InChIKeyZEDCZQZKSJYJDY-UHFFFAOYSA-N
MW288.32 g/mol
LogP4.95
Rot. Bonds6

About dicyclohexyl ethenyl phosphate

dicyclohexyl ethenyl phosphate (PubChem CID 152633991) has the molecular formula C14H25O4P and a molecular weight of 288.32 g/mol. Its IUPAC name is dicyclohexyl ethenyl phosphate.

Molecular Properties

Compound Namedicyclohexyl ethenyl phosphate
PubChem CID152633991
Molecular FormulaC14H25O4P
Molecular Weight288.32 g/mol
Exact Mass288.15
IUPAC Namedicyclohexyl ethenyl phosphate
SMILESC=COP(=O)(OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C14H25O4P/c1-2-16-19(15,17-13-9-5-3-6-10-13)18-14-11-7-4-8-12-14/h2,13-14H,1,3-12H2
InChIKeyZEDCZQZKSJYJDY-UHFFFAOYSA-N
XLogP4.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

tricyclooctyl phosphate
CID 22995283
tricyclobutyl phosphate
CID 66609052
cyclopentyloxy(ethenyl)phosphinic acid
CID 118440970
[fluoro(methyl)phosphoryl]oxycyclohexane
CID 14366907
cyclohexyl dimethyl phosphate;N,N-dimethylmethanamine
CID 174717121
dicyclohexyl [cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate
CID 175086196
[prop-2-enoxy(prop-2-enyl)phosphoryl]oxycyclohexane
CID 56996806
[chloro(methyl)phosphoryl]oxycyclopentane
CID 170850792
bis(dicyclohexyl phosphate);nickel(2+)
CID 22768614
[ethyl(methyl)phosphoryl]oxycyclohexane
CID 66729701
cyclohexyl ethyl methyl phosphate
CID 66729683
cyclopentyl fluoro methyl phosphate
CID 66729749

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl ethenyl phosphate?
The IUPAC name of dicyclohexyl ethenyl phosphate (CID 152633991) is dicyclohexyl ethenyl phosphate.
What is the SMILES notation for dicyclohexyl ethenyl phosphate?
The canonical SMILES for dicyclohexyl ethenyl phosphate is C=COP(=O)(OC1CCCCC1)OC1CCCCC1.
What is the InChIKey of dicyclohexyl ethenyl phosphate?
The InChIKey is ZEDCZQZKSJYJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25O4P/c1-2-16-19(15,17-13-9-5-3-6-10-13)18-14-11-7-4-8-12-14/h2,13-14H,1,3-12H2.
What are the key properties of dicyclohexyl ethenyl phosphate?
dicyclohexyl ethenyl phosphate has a molecular weight of 288.32 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl ethenyl phosphate is sourced from PubChem (CID 152633991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).