[(2Z,6E)-7,11-dimethyl-3-prop-2-enyldodeca-2,6,10-trienyl] dihydrogen phosphate

C17H29O4P — CID 16736585

IUPAC[(2Z,6E)-7,11-dimethyl-3-prop-2-enyldodeca-2,6,10-trienyl] dihydrogen phosphate
SMILESC=CC/C(=C\COP(=O)(O)O)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C17H29O4P/c1-5-8-17(13-14-21-22(18,19)20)12-7-11-16(4)10-6-9-15(2)3/h5,9,11,13H,1,6-8,10,12,14H2,2-4H3,(H2,18,19,20)/b16-11+,17-13+
InChIKeyMNQQHQBXRZHHJO-IUBLYSDUSA-N
MW328.39 g/mol
LogP5.07
Rot. Bonds11

About [(2Z,6E)-7,11-dimethyl-3-prop-2-enyldodeca-2,6,10-trienyl] dihydrogen phosphate

[(2Z,6E)-7,11-dimethyl-3-prop-2-enyldodeca-2,6,10-trienyl] dihydrogen phosphate (PubChem CID 16736585) has the molecular formula C17H29O4P and a molecular weight of 328.39 g/mol. Its IUPAC name is [(2Z,6E)-7,11-dimethyl-3-prop-2-enyldodeca-2,6,10-trienyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(2Z,6E)-7,11-dimethyl-3-prop-2-enyldodeca-2,6,10-trienyl] dihydrogen phosphate
PubChem CID16736585
Molecular FormulaC17H29O4P
Molecular Weight328.39 g/mol
Exact Mass328.18
IUPAC Name[(2Z,6E)-7,11-dimethyl-3-prop-2-enyldodeca-2,6,10-trienyl] dihydrogen phosphate
SMILESC=CC/C(=C\COP(=O)(O)O)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C17H29O4P/c1-5-8-17(13-14-21-22(18,19)20)12-7-11-16(4)10-6-9-15(2)3/h5,9,11,13H,1,6-8,10,12,14H2,2-4H3,(H2,18,19,20)/b16-11+,17-13+
InChIKeyMNQQHQBXRZHHJO-IUBLYSDUSA-N
XLogP5.07
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.39
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(2Z,6E)-7,11-dimethyl-3-prop-2-enyldodeca-2,6,10-trienyl] 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

Frequently Asked Questions

What is the IUPAC name of [(2Z,6E)-7,11-dimethyl-3-prop-2-enyldodeca-2,6,10-trienyl] dihydrogen phosphate?
The IUPAC name of [(2Z,6E)-7,11-dimethyl-3-prop-2-enyldodeca-2,6,10-trienyl] dihydrogen phosphate (CID 16736585) is [(2Z,6E)-7,11-dimethyl-3-prop-2-enyldodeca-2,6,10-trienyl] dihydrogen phosphate.
What is the SMILES notation for [(2Z,6E)-7,11-dimethyl-3-prop-2-enyldodeca-2,6,10-trienyl] dihydrogen phosphate?
The canonical SMILES for [(2Z,6E)-7,11-dimethyl-3-prop-2-enyldodeca-2,6,10-trienyl] dihydrogen phosphate is C=CC/C(=C\COP(=O)(O)O)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of [(2Z,6E)-7,11-dimethyl-3-prop-2-enyldodeca-2,6,10-trienyl] dihydrogen phosphate?
The InChIKey is MNQQHQBXRZHHJO-IUBLYSDUSA-N. The full InChI is InChI=1S/C17H29O4P/c1-5-8-17(13-14-21-22(18,19)20)12-7-11-16(4)10-6-9-15(2)3/h5,9,11,13H,1,6-8,10,12,14H2,2-4H3,(H2,18,19,20)/b16-11+,17-13+.
What are the key properties of [(2Z,6E)-7,11-dimethyl-3-prop-2-enyldodeca-2,6,10-trienyl] dihydrogen phosphate?
[(2Z,6E)-7,11-dimethyl-3-prop-2-enyldodeca-2,6,10-trienyl] dihydrogen phosphate has a molecular weight of 328.39 g/mol, XLogP of 5.07, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,6E)-7,11-dimethyl-3-prop-2-enyldodeca-2,6,10-trienyl] dihydrogen phosphate is sourced from PubChem (CID 16736585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).