hepta-3,5-dien-2-yl dihydrogen phosphate

C7H13O4P — CID 123655665

IUPAChepta-3,5-dien-2-yl dihydrogen phosphate
SMILESCC=CC=CC(C)OP(=O)(O)O
InChIInChI=1S/C7H13O4P/c1-3-4-5-6-7(2)11-12(8,9)10/h3-7H,1-2H3,(H2,8,9,10)
InChIKeyIMKXWMWXTMKKOG-UHFFFAOYSA-N
MW192.15 g/mol
LogP1.62
Rot. Bonds4

About hepta-3,5-dien-2-yl dihydrogen phosphate

hepta-3,5-dien-2-yl dihydrogen phosphate (PubChem CID 123655665) has the molecular formula C7H13O4P and a molecular weight of 192.15 g/mol. Its IUPAC name is hepta-3,5-dien-2-yl dihydrogen phosphate.

Molecular Properties

Compound Namehepta-3,5-dien-2-yl dihydrogen phosphate
PubChem CID123655665
Molecular FormulaC7H13O4P
Molecular Weight192.15 g/mol
Exact Mass192.06
IUPAC Namehepta-3,5-dien-2-yl dihydrogen phosphate
SMILESCC=CC=CC(C)OP(=O)(O)O
InChIInChI=1S/C7H13O4P/c1-3-4-5-6-7(2)11-12(8,9)10/h3-7H,1-2H3,(H2,8,9,10)
InChIKeyIMKXWMWXTMKKOG-UHFFFAOYSA-N
XLogP1.62
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.15
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3E,5E)-hepta-3,5-dien-2-yl] acetate
CID 12755488
(2Z,4E)-6-methoxyhepta-2,4-diene
CID 58952970
1-phosphonooxyethyl dihydrogen phosphate
CID 14930911
2-phosphonooxypent-3-enoic acid
CID 154398520
[(3E,5E)-hepta-3,5-dien-2-yl]oxy-trimethylsilane
CID 13461076
magnesium;hydride;1-phosphonooxyethyl dihydrogen phosphate
CID 175158415
potassium;hydride;propan-2-yl dihydrogen phosphate
CID 173374044
1-hydroxyethyl dihydrogen phosphate;urea
CID 21118622
1,1-dihydroxypropan-2-yl dihydrogen phosphate
CID 175328416
oct-6-en-1-yn-3-yl dihydrogen phosphate
CID 174748672
4-chlorobutan-2-yl dihydrogen phosphate
CID 150088716
(3Z,5Z,7Z)-nona-3,5,7-triene-2-sulfonic acid
CID 89217483

Frequently Asked Questions

What is the IUPAC name of hepta-3,5-dien-2-yl dihydrogen phosphate?
The IUPAC name of hepta-3,5-dien-2-yl dihydrogen phosphate (CID 123655665) is hepta-3,5-dien-2-yl dihydrogen phosphate.
What is the SMILES notation for hepta-3,5-dien-2-yl dihydrogen phosphate?
The canonical SMILES for hepta-3,5-dien-2-yl dihydrogen phosphate is CC=CC=CC(C)OP(=O)(O)O.
What is the InChIKey of hepta-3,5-dien-2-yl dihydrogen phosphate?
The InChIKey is IMKXWMWXTMKKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O4P/c1-3-4-5-6-7(2)11-12(8,9)10/h3-7H,1-2H3,(H2,8,9,10).
What are the key properties of hepta-3,5-dien-2-yl dihydrogen phosphate?
hepta-3,5-dien-2-yl dihydrogen phosphate has a molecular weight of 192.15 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hepta-3,5-dien-2-yl dihydrogen phosphate is sourced from PubChem (CID 123655665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).