deca-1,2-dien-4-yl diethyl phosphate

C14H27O4P — CID 102142414

IUPACdeca-1,2-dien-4-yl diethyl phosphate
SMILESC=C=CC(CCCCCC)OP(=O)(OCC)OCC
InChIInChI=1S/C14H27O4P/c1-5-9-10-11-13-14(12-6-2)18-19(15,16-7-3)17-8-4/h12,14H,2,5,7-11,13H2,1,3-4H3
InChIKeyJKOSVKGKMFUNGP-UHFFFAOYSA-N
MW290.34 g/mol
LogP4.86
Rot. Bonds12

About deca-1,2-dien-4-yl diethyl phosphate

deca-1,2-dien-4-yl diethyl phosphate (PubChem CID 102142414) has the molecular formula C14H27O4P and a molecular weight of 290.34 g/mol. Its IUPAC name is deca-1,2-dien-4-yl diethyl phosphate.

Molecular Properties

Compound Namedeca-1,2-dien-4-yl diethyl phosphate
PubChem CID102142414
Molecular FormulaC14H27O4P
Molecular Weight290.34 g/mol
Exact Mass290.16
IUPAC Namedeca-1,2-dien-4-yl diethyl phosphate
SMILESC=C=CC(CCCCCC)OP(=O)(OCC)OCC
InChIInChI=1S/C14H27O4P/c1-5-9-10-11-13-14(12-6-2)18-19(15,16-7-3)17-8-4/h12,14H,2,5,7-11,13H2,1,3-4H3
InChIKeyJKOSVKGKMFUNGP-UHFFFAOYSA-N
XLogP4.86
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of deca-1,2-dien-4-yl diethyl phosphate?
The IUPAC name of deca-1,2-dien-4-yl diethyl phosphate (CID 102142414) is deca-1,2-dien-4-yl diethyl phosphate.
What is the SMILES notation for deca-1,2-dien-4-yl diethyl phosphate?
The canonical SMILES for deca-1,2-dien-4-yl diethyl phosphate is C=C=CC(CCCCCC)OP(=O)(OCC)OCC.
What is the InChIKey of deca-1,2-dien-4-yl diethyl phosphate?
The InChIKey is JKOSVKGKMFUNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27O4P/c1-5-9-10-11-13-14(12-6-2)18-19(15,16-7-3)17-8-4/h12,14H,2,5,7-11,13H2,1,3-4H3.
What are the key properties of deca-1,2-dien-4-yl diethyl phosphate?
deca-1,2-dien-4-yl diethyl phosphate has a molecular weight of 290.34 g/mol, XLogP of 4.86, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for deca-1,2-dien-4-yl diethyl phosphate is sourced from PubChem (CID 102142414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).