dimethyl pent-4-enyl phosphate

C7H15O4P — CID 162407603

IUPACdimethyl pent-4-enyl phosphate
SMILESC=CCCCOP(=O)(OC)OC
InChIInChI=1S/C7H15O4P/c1-4-5-6-7-11-12(8,9-2)10-3/h4H,1,5-7H2,2-3H3
InChIKeyNWZZILNFQYWEHK-UHFFFAOYSA-N
MW194.17 g/mol
LogP2.37
Rot. Bonds7

About dimethyl pent-4-enyl phosphate

dimethyl pent-4-enyl phosphate (PubChem CID 162407603) has the molecular formula C7H15O4P and a molecular weight of 194.17 g/mol. Its IUPAC name is dimethyl pent-4-enyl phosphate.

Molecular Properties

Compound Namedimethyl pent-4-enyl phosphate
PubChem CID162407603
Molecular FormulaC7H15O4P
Molecular Weight194.17 g/mol
Exact Mass194.07
IUPAC Namedimethyl pent-4-enyl phosphate
SMILESC=CCCCOP(=O)(OC)OC
InChIInChI=1S/C7H15O4P/c1-4-5-6-7-11-12(8,9-2)10-3/h4H,1,5-7H2,2-3H3
InChIKeyNWZZILNFQYWEHK-UHFFFAOYSA-N
XLogP2.37
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of dimethyl pent-4-enyl phosphate?
The IUPAC name of dimethyl pent-4-enyl phosphate (CID 162407603) is dimethyl pent-4-enyl phosphate.
What is the SMILES notation for dimethyl pent-4-enyl phosphate?
The canonical SMILES for dimethyl pent-4-enyl phosphate is C=CCCCOP(=O)(OC)OC.
What is the InChIKey of dimethyl pent-4-enyl phosphate?
The InChIKey is NWZZILNFQYWEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O4P/c1-4-5-6-7-11-12(8,9-2)10-3/h4H,1,5-7H2,2-3H3.
What are the key properties of dimethyl pent-4-enyl phosphate?
dimethyl pent-4-enyl phosphate has a molecular weight of 194.17 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl pent-4-enyl phosphate is sourced from PubChem (CID 162407603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).