[(3Z)-4-ethylocta-3,5-dien-3-yl] dihydrogen phosphate

C10H19O4P — CID 175165284

IUPAC[(3Z)-4-ethylocta-3,5-dien-3-yl] dihydrogen phosphate
SMILESCCC=C/C(CC)=C(/CC)OP(=O)(O)O
InChIInChI=1S/C10H19O4P/c1-4-7-8-9(5-2)10(6-3)14-15(11,12)13/h7-8H,4-6H2,1-3H3,(H2,11,12,13)/b8-7?,10-9-
InChIKeyDLFDQUINBNCWRN-ZFBHTWEGSA-N
MW234.23 g/mol
LogP3.14
Rot. Bonds6

About [(3Z)-4-ethylocta-3,5-dien-3-yl] dihydrogen phosphate

[(3Z)-4-ethylocta-3,5-dien-3-yl] dihydrogen phosphate (PubChem CID 175165284) has the molecular formula C10H19O4P and a molecular weight of 234.23 g/mol. Its IUPAC name is [(3Z)-4-ethylocta-3,5-dien-3-yl] dihydrogen phosphate.

Molecular Properties

Compound Name[(3Z)-4-ethylocta-3,5-dien-3-yl] dihydrogen phosphate
PubChem CID175165284
Molecular FormulaC10H19O4P
Molecular Weight234.23 g/mol
Exact Mass234.10
IUPAC Name[(3Z)-4-ethylocta-3,5-dien-3-yl] dihydrogen phosphate
SMILESCCC=C/C(CC)=C(/CC)OP(=O)(O)O
InChIInChI=1S/C10H19O4P/c1-4-7-8-9(5-2)10(6-3)14-15(11,12)13/h7-8H,4-6H2,1-3H3,(H2,11,12,13)/b8-7?,10-9-
InChIKeyDLFDQUINBNCWRN-ZFBHTWEGSA-N
XLogP3.14
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-chlorohex-3-en-3-yl dihydrogen phosphate
CID 54311841
(E)-1-di(propan-2-yloxy)phosphorylpent-2-en-1-one
CID 125476499
(Z)-5-propan-2-ylideneoct-3-ene
CID 171660172
O-phosphono ethanethioate
CID 155074786
acetyl pent-2-enoate
CID 139664955
but-1-enyl(methyl)phosphinic acid
CID 123464058
3-chloropent-2-en-2-yl dihydrogen phosphate
CID 173408881
(E)-pent-2-enoic acid
CID 638122
4-ethylhepta-3,5-dien-3-ylphosphonic acid
CID 90935578
5-chlorooct-4-en-4-yl dihydrogen phosphate
CID 54269085
phosphono 3-ethyl-2-methylpent-2-enoate
CID 154158605
heptadeca-7,9-dien-9-yl dihydrogen phosphate
CID 54564457

Frequently Asked Questions

What is the IUPAC name of [(3Z)-4-ethylocta-3,5-dien-3-yl] dihydrogen phosphate?
The IUPAC name of [(3Z)-4-ethylocta-3,5-dien-3-yl] dihydrogen phosphate (CID 175165284) is [(3Z)-4-ethylocta-3,5-dien-3-yl] dihydrogen phosphate.
What is the SMILES notation for [(3Z)-4-ethylocta-3,5-dien-3-yl] dihydrogen phosphate?
The canonical SMILES for [(3Z)-4-ethylocta-3,5-dien-3-yl] dihydrogen phosphate is CCC=C/C(CC)=C(/CC)OP(=O)(O)O.
What is the InChIKey of [(3Z)-4-ethylocta-3,5-dien-3-yl] dihydrogen phosphate?
The InChIKey is DLFDQUINBNCWRN-ZFBHTWEGSA-N. The full InChI is InChI=1S/C10H19O4P/c1-4-7-8-9(5-2)10(6-3)14-15(11,12)13/h7-8H,4-6H2,1-3H3,(H2,11,12,13)/b8-7?,10-9-.
What are the key properties of [(3Z)-4-ethylocta-3,5-dien-3-yl] dihydrogen phosphate?
[(3Z)-4-ethylocta-3,5-dien-3-yl] dihydrogen phosphate has a molecular weight of 234.23 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-4-ethylocta-3,5-dien-3-yl] dihydrogen phosphate is sourced from PubChem (CID 175165284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).