cyclohexen-1-yl dimethyl phosphate

C8H15O4P — CID 581627

IUPACcyclohexen-1-yl dimethyl phosphate
SMILESCOP(=O)(OC)OC1=CCCCC1
InChIInChI=1S/C8H15O4P/c1-10-13(9,11-2)12-8-6-4-3-5-7-8/h6H,3-5,7H2,1-2H3
InChIKeyOHNVAXLFRZWRRT-UHFFFAOYSA-N
MW206.18 g/mol
LogP2.86
Rot. Bonds4

About cyclohexen-1-yl dimethyl phosphate

cyclohexen-1-yl dimethyl phosphate (PubChem CID 581627) has the molecular formula C8H15O4P and a molecular weight of 206.18 g/mol. Its IUPAC name is cyclohexen-1-yl dimethyl phosphate.

Molecular Properties

Compound Namecyclohexen-1-yl dimethyl phosphate
PubChem CID581627
Molecular FormulaC8H15O4P
Molecular Weight206.18 g/mol
Exact Mass206.07
IUPAC Namecyclohexen-1-yl dimethyl phosphate
SMILESCOP(=O)(OC)OC1=CCCCC1
InChIInChI=1S/C8H15O4P/c1-10-13(9,11-2)12-8-6-4-3-5-7-8/h6H,3-5,7H2,1-2H3
InChIKeyOHNVAXLFRZWRRT-UHFFFAOYSA-N
XLogP2.86
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl dimethyl phosphate?
The IUPAC name of cyclohexen-1-yl dimethyl phosphate (CID 581627) is cyclohexen-1-yl dimethyl phosphate.
What is the SMILES notation for cyclohexen-1-yl dimethyl phosphate?
The canonical SMILES for cyclohexen-1-yl dimethyl phosphate is COP(=O)(OC)OC1=CCCCC1.
What is the InChIKey of cyclohexen-1-yl dimethyl phosphate?
The InChIKey is OHNVAXLFRZWRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O4P/c1-10-13(9,11-2)12-8-6-4-3-5-7-8/h6H,3-5,7H2,1-2H3.
What are the key properties of cyclohexen-1-yl dimethyl phosphate?
cyclohexen-1-yl dimethyl phosphate has a molecular weight of 206.18 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl dimethyl phosphate is sourced from PubChem (CID 581627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).