4-prop-2-enylhept-6-enyl dihydrogen phosphate

C10H19O4P — CID 121482509

IUPAC4-prop-2-enylhept-6-enyl dihydrogen phosphate
SMILESC=CCC(CC=C)CCCOP(=O)(O)O
InChIInChI=1S/C10H19O4P/c1-3-6-10(7-4-2)8-5-9-14-15(11,12)13/h3-4,10H,1-2,5-9H2,(H2,11,12,13)
InChIKeyHYOSEYKRMGEZRA-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.64
Rot. Bonds9

About 4-prop-2-enylhept-6-enyl dihydrogen phosphate

4-prop-2-enylhept-6-enyl dihydrogen phosphate (PubChem CID 121482509) has the molecular formula C10H19O4P and a molecular weight of 234.23 g/mol. Its IUPAC name is 4-prop-2-enylhept-6-enyl dihydrogen phosphate.

Molecular Properties

Compound Name4-prop-2-enylhept-6-enyl dihydrogen phosphate
PubChem CID121482509
Molecular FormulaC10H19O4P
Molecular Weight234.23 g/mol
Exact Mass234.10
IUPAC Name4-prop-2-enylhept-6-enyl dihydrogen phosphate
SMILESC=CCC(CC=C)CCCOP(=O)(O)O
InChIInChI=1S/C10H19O4P/c1-3-6-10(7-4-2)8-5-9-14-15(11,12)13/h3-4,10H,1-2,5-9H2,(H2,11,12,13)
InChIKeyHYOSEYKRMGEZRA-UHFFFAOYSA-N
XLogP2.64
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-prop-2-enylhept-6-enyl dihydrogen phosphate?
The IUPAC name of 4-prop-2-enylhept-6-enyl dihydrogen phosphate (CID 121482509) is 4-prop-2-enylhept-6-enyl dihydrogen phosphate.
What is the SMILES notation for 4-prop-2-enylhept-6-enyl dihydrogen phosphate?
The canonical SMILES for 4-prop-2-enylhept-6-enyl dihydrogen phosphate is C=CCC(CC=C)CCCOP(=O)(O)O.
What is the InChIKey of 4-prop-2-enylhept-6-enyl dihydrogen phosphate?
The InChIKey is HYOSEYKRMGEZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O4P/c1-3-6-10(7-4-2)8-5-9-14-15(11,12)13/h3-4,10H,1-2,5-9H2,(H2,11,12,13).
What are the key properties of 4-prop-2-enylhept-6-enyl dihydrogen phosphate?
4-prop-2-enylhept-6-enyl dihydrogen phosphate has a molecular weight of 234.23 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylhept-6-enyl dihydrogen phosphate is sourced from PubChem (CID 121482509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).