[(E)-1-dimethoxyphosphorylhept-2-enyl] methyl carbonate

C11H21O6P — CID 11437437

IUPAC[(E)-1-dimethoxyphosphorylhept-2-enyl] methyl carbonate
SMILESCCCC/C=C/C(OC(=O)OC)P(=O)(OC)OC
InChIInChI=1S/C11H21O6P/c1-5-6-7-8-9-10(17-11(12)14-2)18(13,15-3)16-4/h8-10H,5-7H2,1-4H3/b9-8+
InChIKeyYOWNHBMRMOVKMI-CMDGGOBGSA-N
MW280.26 g/mol
LogP3.33
Rot. Bonds8

About [(E)-1-dimethoxyphosphorylhept-2-enyl] methyl carbonate

[(E)-1-dimethoxyphosphorylhept-2-enyl] methyl carbonate (PubChem CID 11437437) has the molecular formula C11H21O6P and a molecular weight of 280.26 g/mol. Its IUPAC name is [(E)-1-dimethoxyphosphorylhept-2-enyl] methyl carbonate.

Molecular Properties

Compound Name[(E)-1-dimethoxyphosphorylhept-2-enyl] methyl carbonate
PubChem CID11437437
Molecular FormulaC11H21O6P
Molecular Weight280.26 g/mol
Exact Mass280.11
IUPAC Name[(E)-1-dimethoxyphosphorylhept-2-enyl] methyl carbonate
SMILESCCCC/C=C/C(OC(=O)OC)P(=O)(OC)OC
InChIInChI=1S/C11H21O6P/c1-5-6-7-8-9-10(17-11(12)14-2)18(13,15-3)16-4/h8-10H,5-7H2,1-4H3/b9-8+
InChIKeyYOWNHBMRMOVKMI-CMDGGOBGSA-N
XLogP3.33
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl [(E)-oct-3-en-2-yl] carbonate
CID 14170336
[(E,1R)-1-cyanooct-2-enyl] methyl carbonate
CID 102182290
methyl (E)-3-methylnon-4-enoate
CID 14170346
(E)-1-dimethoxyphosphorylhex-1-ene
CID 12571366
methyl (E)-hept-2-enoate
CID 5368087
methyl (E,2R)-2-acetyloxyhexadec-3-enoate
CID 102491537
methyl dec-5-enoate
CID 54534253
[(E)-1-acetyloxyoct-2-enyl] acetate
CID 88547351
(E)-hept-2-ene-1,1-diol
CID 87660901
CID 162407640
CID 162407640
diethyl 2-[(E)-oct-3-en-2-yl]propanedioate
CID 11369249
(E,2S)-2-aminooct-3-enoic acid
CID 134212552

Frequently Asked Questions

What is the IUPAC name of [(E)-1-dimethoxyphosphorylhept-2-enyl] methyl carbonate?
The IUPAC name of [(E)-1-dimethoxyphosphorylhept-2-enyl] methyl carbonate (CID 11437437) is [(E)-1-dimethoxyphosphorylhept-2-enyl] methyl carbonate.
What is the SMILES notation for [(E)-1-dimethoxyphosphorylhept-2-enyl] methyl carbonate?
The canonical SMILES for [(E)-1-dimethoxyphosphorylhept-2-enyl] methyl carbonate is CCCC/C=C/C(OC(=O)OC)P(=O)(OC)OC.
What is the InChIKey of [(E)-1-dimethoxyphosphorylhept-2-enyl] methyl carbonate?
The InChIKey is YOWNHBMRMOVKMI-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H21O6P/c1-5-6-7-8-9-10(17-11(12)14-2)18(13,15-3)16-4/h8-10H,5-7H2,1-4H3/b9-8+.
What are the key properties of [(E)-1-dimethoxyphosphorylhept-2-enyl] methyl carbonate?
[(E)-1-dimethoxyphosphorylhept-2-enyl] methyl carbonate has a molecular weight of 280.26 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-dimethoxyphosphorylhept-2-enyl] methyl carbonate is sourced from PubChem (CID 11437437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).