[(E)-1-dimethoxyphosphoryl-5-methylhex-2-enyl] methyl carbonate

C11H21O6P — CID 11391843

IUPAC[(E)-1-dimethoxyphosphoryl-5-methylhex-2-enyl] methyl carbonate
SMILESCOC(=O)OC(/C=C/CC(C)C)P(=O)(OC)OC
InChIInChI=1S/C11H21O6P/c1-9(2)7-6-8-10(17-11(12)14-3)18(13,15-4)16-5/h6,8-10H,7H2,1-5H3/b8-6+
InChIKeyWELDLLPCWZDQFM-SOFGYWHQSA-N
MW280.26 g/mol
LogP3.18
Rot. Bonds7

About [(E)-1-dimethoxyphosphoryl-5-methylhex-2-enyl] methyl carbonate

[(E)-1-dimethoxyphosphoryl-5-methylhex-2-enyl] methyl carbonate (PubChem CID 11391843) has the molecular formula C11H21O6P and a molecular weight of 280.26 g/mol. Its IUPAC name is [(E)-1-dimethoxyphosphoryl-5-methylhex-2-enyl] methyl carbonate.

Molecular Properties

Compound Name[(E)-1-dimethoxyphosphoryl-5-methylhex-2-enyl] methyl carbonate
PubChem CID11391843
Molecular FormulaC11H21O6P
Molecular Weight280.26 g/mol
Exact Mass280.11
IUPAC Name[(E)-1-dimethoxyphosphoryl-5-methylhex-2-enyl] methyl carbonate
SMILESCOC(=O)OC(/C=C/CC(C)C)P(=O)(OC)OC
InChIInChI=1S/C11H21O6P/c1-9(2)7-6-8-10(17-11(12)14-3)18(13,15-4)16-5/h6,8-10H,7H2,1-5H3/b8-6+
InChIKeyWELDLLPCWZDQFM-SOFGYWHQSA-N
XLogP3.18
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 [(E)-1-dimethoxyphosphoryl-5-methylhex-2-enyl] methyl carbonate?
The IUPAC name of [(E)-1-dimethoxyphosphoryl-5-methylhex-2-enyl] methyl carbonate (CID 11391843) is [(E)-1-dimethoxyphosphoryl-5-methylhex-2-enyl] methyl carbonate.
What is the SMILES notation for [(E)-1-dimethoxyphosphoryl-5-methylhex-2-enyl] methyl carbonate?
The canonical SMILES for [(E)-1-dimethoxyphosphoryl-5-methylhex-2-enyl] methyl carbonate is COC(=O)OC(/C=C/CC(C)C)P(=O)(OC)OC.
What is the InChIKey of [(E)-1-dimethoxyphosphoryl-5-methylhex-2-enyl] methyl carbonate?
The InChIKey is WELDLLPCWZDQFM-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H21O6P/c1-9(2)7-6-8-10(17-11(12)14-3)18(13,15-4)16-5/h6,8-10H,7H2,1-5H3/b8-6+.
What are the key properties of [(E)-1-dimethoxyphosphoryl-5-methylhex-2-enyl] methyl carbonate?
[(E)-1-dimethoxyphosphoryl-5-methylhex-2-enyl] methyl carbonate has a molecular weight of 280.26 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-dimethoxyphosphoryl-5-methylhex-2-enyl] methyl carbonate is sourced from PubChem (CID 11391843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).