phosphono [(Z,7R)-3,7,11-trimethyldodec-2-enyl] hydrogen phosphate

C15H32O7P2 — CID 129412288

IUPACphosphono [(Z,7R)-3,7,11-trimethyldodec-2-enyl] hydrogen phosphate
SMILESC/C(=C/COP(=O)(O)OP(=O)(O)O)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C15H32O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h11,13-14H,5-10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b15-11-/t14-/m1/s1
InChIKeyIIELEYQUFKXFGM-ADVGAGMGSA-N
MW386.36 g/mol
LogP4.79
Rot. Bonds13

About phosphono [(Z,7R)-3,7,11-trimethyldodec-2-enyl] hydrogen phosphate

phosphono [(Z,7R)-3,7,11-trimethyldodec-2-enyl] hydrogen phosphate (PubChem CID 129412288) has the molecular formula C15H32O7P2 and a molecular weight of 386.36 g/mol. Its IUPAC name is phosphono [(Z,7R)-3,7,11-trimethyldodec-2-enyl] hydrogen phosphate.

Molecular Properties

Compound Namephosphono [(Z,7R)-3,7,11-trimethyldodec-2-enyl] hydrogen phosphate
PubChem CID129412288
Molecular FormulaC15H32O7P2
Molecular Weight386.36 g/mol
Exact Mass386.16
IUPAC Namephosphono [(Z,7R)-3,7,11-trimethyldodec-2-enyl] hydrogen phosphate
SMILESC/C(=C/COP(=O)(O)OP(=O)(O)O)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C15H32O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h11,13-14H,5-10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b15-11-/t14-/m1/s1
InChIKeyIIELEYQUFKXFGM-ADVGAGMGSA-N
XLogP4.79
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 25244233
[(E)-6-methoxy-3-methylhex-2-enyl] phosphono hydrogen phosphate
CID 15765318
2,3-bis(3,7,11,15-tetramethylhexadec-2-enoxy)propyl dihydrogen phosphate
CID 91326910
3-methylhex-2-enyl phosphono hydrogen phosphate
CID 54044887
[(E)-6-(methoxymethoxy)-3-methylhex-2-enyl] phosphono hydrogen phosphate
CID 11099683
trimethyl-(5,9,13,17-tetramethyl-2-phosphonooxyoctadec-4-enyl)azanium
CID 88861900
phosphono [(2E,7E)-3,8,11-trimethyldodeca-2,7,10-trienyl] hydrogen phosphate
CID 102290524
[(2E,6E)-10-amino-3,7-dimethyldeca-2,6-dienyl] phosphono hydrogen phosphate
CID 167165873
[(2E,6E)-3,7-dimethyltrideca-2,6-dienyl] phosphono hydrogen phosphate
CID 127049367
[(E)-3-methyl-4-sulfanylbut-2-enyl] phosphono hydrogen phosphate
CID 70680577
[(2E,6Z,10E,14E,18E,22Z,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl] phosphono hydrogen phosphate
CID 11320104
[(2E,6Z,10E,14E,18E,22Z,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl] phosphono hydrogen phosphate
CID 11285785

Frequently Asked Questions

What is the IUPAC name of phosphono [(Z,7R)-3,7,11-trimethyldodec-2-enyl] hydrogen phosphate?
The IUPAC name of phosphono [(Z,7R)-3,7,11-trimethyldodec-2-enyl] hydrogen phosphate (CID 129412288) is phosphono [(Z,7R)-3,7,11-trimethyldodec-2-enyl] hydrogen phosphate.
What is the SMILES notation for phosphono [(Z,7R)-3,7,11-trimethyldodec-2-enyl] hydrogen phosphate?
The canonical SMILES for phosphono [(Z,7R)-3,7,11-trimethyldodec-2-enyl] hydrogen phosphate is C/C(=C/COP(=O)(O)OP(=O)(O)O)CCC[C@H](C)CCCC(C)C.
What is the InChIKey of phosphono [(Z,7R)-3,7,11-trimethyldodec-2-enyl] hydrogen phosphate?
The InChIKey is IIELEYQUFKXFGM-ADVGAGMGSA-N. The full InChI is InChI=1S/C15H32O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h11,13-14H,5-10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b15-11-/t14-/m1/s1.
What are the key properties of phosphono [(Z,7R)-3,7,11-trimethyldodec-2-enyl] hydrogen phosphate?
phosphono [(Z,7R)-3,7,11-trimethyldodec-2-enyl] hydrogen phosphate has a molecular weight of 386.36 g/mol, XLogP of 4.79, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono [(Z,7R)-3,7,11-trimethyldodec-2-enyl] hydrogen phosphate is sourced from PubChem (CID 129412288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).