dodeca-2,4,6,10-tetraenyl dihydrogen phosphate

C12H19O4P — CID 154057448

IUPACdodeca-2,4,6,10-tetraenyl dihydrogen phosphate
SMILESCC=CCCC=CC=CC=CCOP(=O)(O)O
InChIInChI=1S/C12H19O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-3,6-11H,4-5,12H2,1H3,(H2,13,14,15)
InChIKeyIPRAXUZRZGZRPK-UHFFFAOYSA-N
MW258.25 g/mol
LogP3.12
Rot. Bonds8

About dodeca-2,4,6,10-tetraenyl dihydrogen phosphate

dodeca-2,4,6,10-tetraenyl dihydrogen phosphate (PubChem CID 154057448) has the molecular formula C12H19O4P and a molecular weight of 258.25 g/mol. Its IUPAC name is dodeca-2,4,6,10-tetraenyl dihydrogen phosphate.

Molecular Properties

Compound Namedodeca-2,4,6,10-tetraenyl dihydrogen phosphate
PubChem CID154057448
Molecular FormulaC12H19O4P
Molecular Weight258.25 g/mol
Exact Mass258.10
IUPAC Namedodeca-2,4,6,10-tetraenyl dihydrogen phosphate
SMILESCC=CCCC=CC=CC=CCOP(=O)(O)O
InChIInChI=1S/C12H19O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-3,6-11H,4-5,12H2,1H3,(H2,13,14,15)
InChIKeyIPRAXUZRZGZRPK-UHFFFAOYSA-N
XLogP3.12
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 53.12
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze dodeca-2,4,6,10-tetraenyl dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, 1-(dihydrogen phosphate), (2E,6E)-
CID 10357552
Farnesyl monophosphate
CID 6440220
(2e,6e)-7,11-Dimethyldodeca-2,6,10-Trien-1-Yl Trihydrogen Diphosphate
CID 15818142
Geranyl phosphate
CID 5280394
[(2Z,6E)-7,11-dimethyl-3-prop-1-en-2-yldodeca-2,6,10-trienyl] phosphono hydrogen phosphate
CID 10319260
[(2Z,6E,10E)-3-ethenyl-7,11,15-trimethylhexadeca-2,6,10,14-tetraenyl] phosphono hydrogen phosphate
CID 10576001
[(2Z,6E)-3-ethenyl-7,11-dimethyldodeca-2,6,10-trienyl] phosphono hydrogen phosphate
CID 10949255
[(2E,6Z,10E)-7-ethenyl-3,11,15-trimethylhexadeca-2,6,10,14-tetraenyl] phosphono hydrogen phosphate
CID 44448071
(2e,6z)-3,7,11-Trimethyldodeca-2,6,10-Trien-1-Yl Dihydrogen Phosphate
CID 21672871
(2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaenyl trihydrogen diphosphate
CID 10249049
(Z)-3,7-Dimethylocta-2,6-dien-1-yl dihydrogen phosphate
CID 100979319
3,7,11-Trimethyldodeca-2,6,10-trienyl dihydrogen phosphate
CID 151951

Frequently Asked Questions

What is the IUPAC name of dodeca-2,4,6,10-tetraenyl dihydrogen phosphate?
The IUPAC name of dodeca-2,4,6,10-tetraenyl dihydrogen phosphate (CID 154057448) is dodeca-2,4,6,10-tetraenyl dihydrogen phosphate.
What is the SMILES notation for dodeca-2,4,6,10-tetraenyl dihydrogen phosphate?
The canonical SMILES for dodeca-2,4,6,10-tetraenyl dihydrogen phosphate is CC=CCCC=CC=CC=CCOP(=O)(O)O.
What is the InChIKey of dodeca-2,4,6,10-tetraenyl dihydrogen phosphate?
The InChIKey is IPRAXUZRZGZRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-3,6-11H,4-5,12H2,1H3,(H2,13,14,15).
What are the key properties of dodeca-2,4,6,10-tetraenyl dihydrogen phosphate?
dodeca-2,4,6,10-tetraenyl dihydrogen phosphate has a molecular weight of 258.25 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodeca-2,4,6,10-tetraenyl dihydrogen phosphate is sourced from PubChem (CID 154057448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).