phosphono 2,6,11,15-tetramethylhexadeca-2,6-dien-8-yl hydrogen phosphate

C20H40O7P2 — CID 123694611

IUPACphosphono 2,6,11,15-tetramethylhexadeca-2,6-dien-8-yl hydrogen phosphate
SMILESCC(C)=CCCC(C)=CC(CCC(C)CCCC(C)C)OP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C20H40O7P2/c1-16(2)9-7-11-18(5)13-14-20(15-19(6)12-8-10-17(3)4)26-29(24,25)27-28(21,22)23/h10,15-16,18,20H,7-9,11-14H2,1-6H3,(H,24,25)(H2,21,22,23)
InChIKeyRQUXAGFWEGMNNQ-UHFFFAOYSA-N
MW454.48 g/mol
LogP6.52
Rot. Bonds15

About phosphono 2,6,11,15-tetramethylhexadeca-2,6-dien-8-yl hydrogen phosphate

phosphono 2,6,11,15-tetramethylhexadeca-2,6-dien-8-yl hydrogen phosphate (PubChem CID 123694611) has the molecular formula C20H40O7P2 and a molecular weight of 454.48 g/mol. Its IUPAC name is phosphono 2,6,11,15-tetramethylhexadeca-2,6-dien-8-yl hydrogen phosphate.

Molecular Properties

Compound Namephosphono 2,6,11,15-tetramethylhexadeca-2,6-dien-8-yl hydrogen phosphate
PubChem CID123694611
Molecular FormulaC20H40O7P2
Molecular Weight454.48 g/mol
Exact Mass454.22
IUPAC Namephosphono 2,6,11,15-tetramethylhexadeca-2,6-dien-8-yl hydrogen phosphate
SMILESCC(C)=CCCC(C)=CC(CCC(C)CCCC(C)C)OP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C20H40O7P2/c1-16(2)9-7-11-18(5)13-14-20(15-19(6)12-8-10-17(3)4)26-29(24,25)27-28(21,22)23/h10,15-16,18,20H,7-9,11-14H2,1-6H3,(H,24,25)(H2,21,22,23)
InChIKeyRQUXAGFWEGMNNQ-UHFFFAOYSA-N
XLogP6.52
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.48
LogP ≤ 56.52
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

Dolichyl diphosphate
CID 24892721
(E)-3,7,11,15-tetramethylhexadec-2-en-1-yl diphosphate
CID 5280787
Phytyl diphosphate(3-)
CID 71728454
Phytyl diphosphate
CID 14556929
Phytyl phosphate
CID 25245114
Phytyl monophosphate
CID 25245113
phosphono [(E)-3,7,11-trimethyldodec-2-enyl] hydrogen phosphate
CID 66545763
[(2Z,6E)-3-cyclopentyl-7,11-dimethyldodeca-2,6,10-trienyl] phosphono hydrogen phosphate
CID 44294509
[(2Z,6E)-7,11-dimethyl-3-(2-methylpropyl)dodeca-2,6,10-trienyl] phosphono hydrogen phosphate
CID 44294641
[(2Z,6E)-3-butan-2-yl-7,11-dimethyldodeca-2,6,10-trienyl] phosphono hydrogen phosphate
CID 44294653
dihydrogeranylgeranyl-PP
CID 90658526
Tetrahydrogeranylgeranyl diphosphate
CID 25244233

Frequently Asked Questions

What is the IUPAC name of phosphono 2,6,11,15-tetramethylhexadeca-2,6-dien-8-yl hydrogen phosphate?
The IUPAC name of phosphono 2,6,11,15-tetramethylhexadeca-2,6-dien-8-yl hydrogen phosphate (CID 123694611) is phosphono 2,6,11,15-tetramethylhexadeca-2,6-dien-8-yl hydrogen phosphate.
What is the SMILES notation for phosphono 2,6,11,15-tetramethylhexadeca-2,6-dien-8-yl hydrogen phosphate?
The canonical SMILES for phosphono 2,6,11,15-tetramethylhexadeca-2,6-dien-8-yl hydrogen phosphate is CC(C)=CCCC(C)=CC(CCC(C)CCCC(C)C)OP(=O)(O)OP(=O)(O)O.
What is the InChIKey of phosphono 2,6,11,15-tetramethylhexadeca-2,6-dien-8-yl hydrogen phosphate?
The InChIKey is RQUXAGFWEGMNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O7P2/c1-16(2)9-7-11-18(5)13-14-20(15-19(6)12-8-10-17(3)4)26-29(24,25)27-28(21,22)23/h10,15-16,18,20H,7-9,11-14H2,1-6H3,(H,24,25)(H2,21,22,23).
What are the key properties of phosphono 2,6,11,15-tetramethylhexadeca-2,6-dien-8-yl hydrogen phosphate?
phosphono 2,6,11,15-tetramethylhexadeca-2,6-dien-8-yl hydrogen phosphate has a molecular weight of 454.48 g/mol, XLogP of 6.52, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono 2,6,11,15-tetramethylhexadeca-2,6-dien-8-yl hydrogen phosphate is sourced from PubChem (CID 123694611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).