cyclohept-2-en-1-yl diethyl phosphate

C11H21O4P — CID 11586848

IUPACcyclohept-2-en-1-yl diethyl phosphate
SMILESCCOP(=O)(OCC)OC1C=CCCCC1
InChIInChI=1S/C11H21O4P/c1-3-13-16(12,14-4-2)15-11-9-7-5-6-8-10-11/h7,9,11H,3-6,8,10H2,1-2H3
InChIKeyOOIDLPOLIUKMFL-UHFFFAOYSA-N
MW248.26 g/mol
LogP3.68
Rot. Bonds6

About cyclohept-2-en-1-yl diethyl phosphate

cyclohept-2-en-1-yl diethyl phosphate (PubChem CID 11586848) has the molecular formula C11H21O4P and a molecular weight of 248.26 g/mol. Its IUPAC name is cyclohept-2-en-1-yl diethyl phosphate.

Molecular Properties

Compound Namecyclohept-2-en-1-yl diethyl phosphate
PubChem CID11586848
Molecular FormulaC11H21O4P
Molecular Weight248.26 g/mol
Exact Mass248.12
IUPAC Namecyclohept-2-en-1-yl diethyl phosphate
SMILESCCOP(=O)(OCC)OC1C=CCCCC1
InChIInChI=1S/C11H21O4P/c1-3-13-16(12,14-4-2)15-11-9-7-5-6-8-10-11/h7,9,11H,3-6,8,10H2,1-2H3
InChIKeyOOIDLPOLIUKMFL-UHFFFAOYSA-N
XLogP3.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Cyclohex-2-en-1-yl diethyl phosphate
CID 10421524
[(1R,4S)-4-diethoxyphosphoryloxycyclohex-2-en-1-yl] diethyl phosphate
CID 12141519
[(1R,4S)-4-diethoxyphosphoryloxycyclohept-2-en-1-yl] diethyl phosphate
CID 12141520
(1S,6S,8R)-8-undecyl-2,9,10-trioxa-1lambda5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide
CID 53240250
diethyl [(E,4R)-oct-2-en-4-yl] phosphate
CID 11032737
[(E)-dec-2-enyl] diethyl phosphate
CID 11197103
Cyclohexen-1-yl dipropan-2-yl phosphate
CID 13860809
diethyl [(Z,2S)-oct-3-en-2-yl] phosphate
CID 46850470
(6S,8R)-8-undecyl-2,9,10-trioxa-1lambda5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide
CID 101501383
[(1S)-cyclohex-2-en-1-yl] diethyl phosphate
CID 132515185
(1-Deuteriocyclohex-2-en-1-yl) diethyl phosphate
CID 134860192
diethyl [(E)-non-5-en-4-yl] phosphate
CID 134891116

Frequently Asked Questions

What is the IUPAC name of cyclohept-2-en-1-yl diethyl phosphate?
The IUPAC name of cyclohept-2-en-1-yl diethyl phosphate (CID 11586848) is cyclohept-2-en-1-yl diethyl phosphate.
What is the SMILES notation for cyclohept-2-en-1-yl diethyl phosphate?
The canonical SMILES for cyclohept-2-en-1-yl diethyl phosphate is CCOP(=O)(OCC)OC1C=CCCCC1.
What is the InChIKey of cyclohept-2-en-1-yl diethyl phosphate?
The InChIKey is OOIDLPOLIUKMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O4P/c1-3-13-16(12,14-4-2)15-11-9-7-5-6-8-10-11/h7,9,11H,3-6,8,10H2,1-2H3.
What are the key properties of cyclohept-2-en-1-yl diethyl phosphate?
cyclohept-2-en-1-yl diethyl phosphate has a molecular weight of 248.26 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohept-2-en-1-yl diethyl phosphate is sourced from PubChem (CID 11586848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).