phosphono undec-10-enyl hydrogen phosphate

C11H24O7P2 — CID 146240350

IUPACphosphono undec-10-enyl hydrogen phosphate
SMILESC=CCCCCCCCCCOP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C11H24O7P2/c1-2-3-4-5-6-7-8-9-10-11-17-20(15,16)18-19(12,13)14/h2H,1,3-11H2,(H,15,16)(H2,12,13,14)
InChIKeyWXJZRWINCKVURR-UHFFFAOYSA-N
MW330.25 g/mol
LogP3.52
Rot. Bonds13

About phosphono undec-10-enyl hydrogen phosphate

phosphono undec-10-enyl hydrogen phosphate (PubChem CID 146240350) has the molecular formula C11H24O7P2 and a molecular weight of 330.25 g/mol. Its IUPAC name is phosphono undec-10-enyl hydrogen phosphate.

Molecular Properties

Compound Namephosphono undec-10-enyl hydrogen phosphate
PubChem CID146240350
Molecular FormulaC11H24O7P2
Molecular Weight330.25 g/mol
Exact Mass330.10
IUPAC Namephosphono undec-10-enyl hydrogen phosphate
SMILESC=CCCCCCCCCCOP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C11H24O7P2/c1-2-3-4-5-6-7-8-9-10-11-17-20(15,16)18-19(12,13)14/h2H,1,3-11H2,(H,15,16)(H2,12,13,14)
InChIKeyWXJZRWINCKVURR-UHFFFAOYSA-N
XLogP3.52
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 53.52
H-Bond Donors ≤ 53
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 phosphono undec-10-enyl hydrogen phosphate?
The IUPAC name of phosphono undec-10-enyl hydrogen phosphate (CID 146240350) is phosphono undec-10-enyl hydrogen phosphate.
What is the SMILES notation for phosphono undec-10-enyl hydrogen phosphate?
The canonical SMILES for phosphono undec-10-enyl hydrogen phosphate is C=CCCCCCCCCCOP(=O)(O)OP(=O)(O)O.
What is the InChIKey of phosphono undec-10-enyl hydrogen phosphate?
The InChIKey is WXJZRWINCKVURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O7P2/c1-2-3-4-5-6-7-8-9-10-11-17-20(15,16)18-19(12,13)14/h2H,1,3-11H2,(H,15,16)(H2,12,13,14).
What are the key properties of phosphono undec-10-enyl hydrogen phosphate?
phosphono undec-10-enyl hydrogen phosphate has a molecular weight of 330.25 g/mol, XLogP of 3.52, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono undec-10-enyl hydrogen phosphate is sourced from PubChem (CID 146240350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).