diethyl [(1S,2S)-2-methylcyclopent-3-en-1-yl] phosphate

C10H19O4P — CID 12141530

IUPACdiethyl [(1S,2S)-2-methylcyclopent-3-en-1-yl] phosphate
SMILESCCOP(=O)(OCC)O[C@H]1CC=C[C@@H]1C
InChIInChI=1S/C10H19O4P/c1-4-12-15(11,13-5-2)14-10-8-6-7-9(10)3/h6-7,9-10H,4-5,8H2,1-3H3/t9-,10-/m0/s1
InChIKeyGDNJHJQIUDWGLN-UWVGGRQHSA-N
MW234.23 g/mol
LogP1.80
Rot. Bonds6

About diethyl [(1S,2S)-2-methylcyclopent-3-en-1-yl] phosphate

diethyl [(1S,2S)-2-methylcyclopent-3-en-1-yl] phosphate (PubChem CID 12141530) has the molecular formula C10H19O4P and a molecular weight of 234.23 g/mol. Its IUPAC name is diethyl [(1S,2S)-2-methylcyclopent-3-en-1-yl] phosphate.

Molecular Properties

Compound Namediethyl [(1S,2S)-2-methylcyclopent-3-en-1-yl] phosphate
PubChem CID12141530
Molecular FormulaC10H19O4P
Molecular Weight234.23 g/mol
Exact Mass234.10
IUPAC Namediethyl [(1S,2S)-2-methylcyclopent-3-en-1-yl] phosphate
SMILESCCOP(=O)(OCC)O[C@H]1CC=C[C@@H]1C
InChIInChI=1S/C10H19O4P/c1-4-12-15(11,13-5-2)14-10-8-6-7-9(10)3/h6-7,9-10H,4-5,8H2,1-3H3/t9-,10-/m0/s1
InChIKeyGDNJHJQIUDWGLN-UWVGGRQHSA-N
XLogP1.80
TPSA44.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity254

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.80
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

diethyl [(1S,2S)-2-ethylcyclopent-3-en-1-yl] phosphate
CID 11288103
diethyl [(1R,2R)-2-ethylcyclopent-3-en-1-yl] phosphate
CID 11288104
diethyl [(1R,2R)-2-ethylcyclohex-3-en-1-yl] phosphate
CID 11414336
diethyl [(1R,2S)-2-ethylcyclohex-3-en-1-yl] phosphate
CID 101227861
diethyl [(E,3R)-2-methylhex-4-en-3-yl] phosphate
CID 10988693
diethyl [(E,4R)-5-ethylhept-2-en-4-yl] phosphate
CID 11097868
diethyl [(1R,2R)-2-prop-2-enylcyclopent-3-en-1-yl] phosphate
CID 134852509
diethyl [(1R,2R)-2-prop-2-enylcyclohex-3-en-1-yl] phosphate
CID 134863849
diethyl [(1R,2S)-2-ethylcyclopent-3-en-1-yl] phosphate
CID 139263587
diethyl [(1S,2R)-2-ethylcyclohex-3-en-1-yl] phosphate
CID 11436945
diethyl [(1R,2R)-2-methylcyclopent-3-en-1-yl] phosphate
CID 12141537
4-[2-Di(propan-2-yloxy)phosphorylethyl]cyclopentene
CID 15667258

Frequently Asked Questions

What is the IUPAC name of diethyl [(1S,2S)-2-methylcyclopent-3-en-1-yl] phosphate?
The IUPAC name of diethyl [(1S,2S)-2-methylcyclopent-3-en-1-yl] phosphate (CID 12141530) is diethyl [(1S,2S)-2-methylcyclopent-3-en-1-yl] phosphate.
What is the SMILES notation for diethyl [(1S,2S)-2-methylcyclopent-3-en-1-yl] phosphate?
The canonical SMILES for diethyl [(1S,2S)-2-methylcyclopent-3-en-1-yl] phosphate is CCOP(=O)(OCC)O[C@H]1CC=C[C@@H]1C.
What is the InChIKey of diethyl [(1S,2S)-2-methylcyclopent-3-en-1-yl] phosphate?
The InChIKey is GDNJHJQIUDWGLN-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H19O4P/c1-4-12-15(11,13-5-2)14-10-8-6-7-9(10)3/h6-7,9-10H,4-5,8H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of diethyl [(1S,2S)-2-methylcyclopent-3-en-1-yl] phosphate?
diethyl [(1S,2S)-2-methylcyclopent-3-en-1-yl] phosphate has a molecular weight of 234.23 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl [(1S,2S)-2-methylcyclopent-3-en-1-yl] phosphate is sourced from PubChem (CID 12141530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).