[(1R)-cyclohept-2-en-1-yl] diethyl phosphate

C11H21O4P — CID 129364890

IUPAC[(1R)-cyclohept-2-en-1-yl] diethyl phosphate
SMILESCCOP(=O)(OCC)O[C@H]1C=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/t11-/m0/s1
InChIKeyOOIDLPOLIUKMFL-NSHDSACASA-N
MW248.26 g/mol
LogP3.68
Rot. Bonds6

About [(1R)-cyclohept-2-en-1-yl] diethyl phosphate

[(1R)-cyclohept-2-en-1-yl] diethyl phosphate (PubChem CID 129364890) has the molecular formula C11H21O4P and a molecular weight of 248.26 g/mol. Its IUPAC name is [(1R)-cyclohept-2-en-1-yl] diethyl phosphate.

Molecular Properties

Compound Name[(1R)-cyclohept-2-en-1-yl] diethyl phosphate
PubChem CID129364890
Molecular FormulaC11H21O4P
Molecular Weight248.26 g/mol
Exact Mass248.12
IUPAC Name[(1R)-cyclohept-2-en-1-yl] diethyl phosphate
SMILESCCOP(=O)(OCC)O[C@H]1C=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/t11-/m0/s1
InChIKeyOOIDLPOLIUKMFL-NSHDSACASA-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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Frequently Asked Questions

What is the IUPAC name of [(1R)-cyclohept-2-en-1-yl] diethyl phosphate?
The IUPAC name of [(1R)-cyclohept-2-en-1-yl] diethyl phosphate (CID 129364890) is [(1R)-cyclohept-2-en-1-yl] diethyl phosphate.
What is the SMILES notation for [(1R)-cyclohept-2-en-1-yl] diethyl phosphate?
The canonical SMILES for [(1R)-cyclohept-2-en-1-yl] diethyl phosphate is CCOP(=O)(OCC)O[C@H]1C=CCCCC1.
What is the InChIKey of [(1R)-cyclohept-2-en-1-yl] diethyl phosphate?
The InChIKey is OOIDLPOLIUKMFL-NSHDSACASA-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/t11-/m0/s1.
What are the key properties of [(1R)-cyclohept-2-en-1-yl] diethyl phosphate?
[(1R)-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 [(1R)-cyclohept-2-en-1-yl] diethyl phosphate is sourced from PubChem (CID 129364890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).