(1-deuteriocyclohex-2-en-1-yl) diethyl phosphate

C10H19O4P — CID 134860192

IUPAC(1-deuteriocyclohex-2-en-1-yl) diethyl phosphate
SMILES[2H]C1(OP(=O)(OCC)OCC)C=CCCC1
InChIInChI=1S/C10H19O4P/c1-3-12-15(11,13-4-2)14-10-8-6-5-7-9-10/h6,8,10H,3-5,7,9H2,1-2H3/i10D
InChIKeyHVWHCAZNKZGVFY-MMIHMFRQSA-N
MW235.24 g/mol
LogP3.29
Rot. Bonds6

About (1-deuteriocyclohex-2-en-1-yl) diethyl phosphate

(1-deuteriocyclohex-2-en-1-yl) diethyl phosphate (PubChem CID 134860192) has the molecular formula C10H19O4P and a molecular weight of 235.24 g/mol. Its IUPAC name is (1-deuteriocyclohex-2-en-1-yl) diethyl phosphate.

Molecular Properties

Compound Name(1-deuteriocyclohex-2-en-1-yl) diethyl phosphate
PubChem CID134860192
Molecular FormulaC10H19O4P
Molecular Weight235.24 g/mol
Exact Mass235.11
IUPAC Name(1-deuteriocyclohex-2-en-1-yl) diethyl phosphate
SMILES[2H]C1(OP(=O)(OCC)OCC)C=CCCC1
InChIInChI=1S/C10H19O4P/c1-3-12-15(11,13-4-2)14-10-8-6-5-7-9-10/h6,8,10H,3-5,7,9H2,1-2H3/i10D
InChIKeyHVWHCAZNKZGVFY-MMIHMFRQSA-N
XLogP3.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 53.29
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

1-Cyclohexen-1-yl diethyl phosphate
CID 78196
[(E)-dec-6-en-5-yl]oxy-oxo-(2,2,2-trifluoroethoxy)phosphanium
CID 134969378
Cyclohex-2-en-1-yl diethyl phosphate
CID 10421524
[(1R,4S)-4-diethoxyphosphoryloxycyclopent-2-en-1-yl] diethyl phosphate
CID 11428712
[(1R,4S)-4-diethoxyphosphoryloxycyclohex-2-en-1-yl] diethyl phosphate
CID 12141519
Cyclohex-2-en-1-yloxy(fluoro)phosphinic acid
CID 178182479
diethyl [(E,4R)-oct-2-en-4-yl] phosphate
CID 11032737
diethyl [(E,4R)-5-ethylhept-2-en-4-yl] phosphate
CID 11097868
[(E)-dec-2-enyl] diethyl phosphate
CID 11197103
diethyl [(1R)-2-iodocyclohex-2-en-1-yl] phosphate
CID 11210590
Cyclohept-2-en-1-yl diethyl phosphate
CID 11586848
Cyclohexen-1-yl dipropan-2-yl phosphate
CID 13860809

Frequently Asked Questions

What is the IUPAC name of (1-deuteriocyclohex-2-en-1-yl) diethyl phosphate?
The IUPAC name of (1-deuteriocyclohex-2-en-1-yl) diethyl phosphate (CID 134860192) is (1-deuteriocyclohex-2-en-1-yl) diethyl phosphate.
What is the SMILES notation for (1-deuteriocyclohex-2-en-1-yl) diethyl phosphate?
The canonical SMILES for (1-deuteriocyclohex-2-en-1-yl) diethyl phosphate is [2H]C1(OP(=O)(OCC)OCC)C=CCCC1.
What is the InChIKey of (1-deuteriocyclohex-2-en-1-yl) diethyl phosphate?
The InChIKey is HVWHCAZNKZGVFY-MMIHMFRQSA-N. The full InChI is InChI=1S/C10H19O4P/c1-3-12-15(11,13-4-2)14-10-8-6-5-7-9-10/h6,8,10H,3-5,7,9H2,1-2H3/i10D.
What are the key properties of (1-deuteriocyclohex-2-en-1-yl) diethyl phosphate?
(1-deuteriocyclohex-2-en-1-yl) diethyl phosphate has a molecular weight of 235.24 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-deuteriocyclohex-2-en-1-yl) diethyl phosphate is sourced from PubChem (CID 134860192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).