phosphono [(3S,6E)-3,7,11-trimethyldodeca-6,10-dienyl] hydrogen phosphate

C15H30O7P2 — CID 137348141

IUPACphosphono [(3S,6E)-3,7,11-trimethyldodeca-6,10-dienyl] hydrogen phosphate
SMILESCC(C)=CCC/C(C)=C/CC[C@H](C)CCOP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C15H30O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,15H,5-6,8,10-12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+/t15-/m0/s1
InChIKeyUGQVBUXMCRXOIF-HNRFISLBSA-N
MW384.35 g/mol
LogP4.71
Rot. Bonds12

About phosphono [(3S,6E)-3,7,11-trimethyldodeca-6,10-dienyl] hydrogen phosphate

phosphono [(3S,6E)-3,7,11-trimethyldodeca-6,10-dienyl] hydrogen phosphate (PubChem CID 137348141) has the molecular formula C15H30O7P2 and a molecular weight of 384.35 g/mol. Its IUPAC name is phosphono [(3S,6E)-3,7,11-trimethyldodeca-6,10-dienyl] hydrogen phosphate.

Molecular Properties

Compound Namephosphono [(3S,6E)-3,7,11-trimethyldodeca-6,10-dienyl] hydrogen phosphate
PubChem CID137348141
Molecular FormulaC15H30O7P2
Molecular Weight384.35 g/mol
Exact Mass384.15
IUPAC Namephosphono [(3S,6E)-3,7,11-trimethyldodeca-6,10-dienyl] hydrogen phosphate
SMILESCC(C)=CCC/C(C)=C/CC[C@H](C)CCOP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C15H30O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,15H,5-6,8,10-12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+/t15-/m0/s1
InChIKeyUGQVBUXMCRXOIF-HNRFISLBSA-N
XLogP4.71
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 54.71
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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Frequently Asked Questions

What is the IUPAC name of phosphono [(3S,6E)-3,7,11-trimethyldodeca-6,10-dienyl] hydrogen phosphate?
The IUPAC name of phosphono [(3S,6E)-3,7,11-trimethyldodeca-6,10-dienyl] hydrogen phosphate (CID 137348141) is phosphono [(3S,6E)-3,7,11-trimethyldodeca-6,10-dienyl] hydrogen phosphate.
What is the SMILES notation for phosphono [(3S,6E)-3,7,11-trimethyldodeca-6,10-dienyl] hydrogen phosphate?
The canonical SMILES for phosphono [(3S,6E)-3,7,11-trimethyldodeca-6,10-dienyl] hydrogen phosphate is CC(C)=CCC/C(C)=C/CC[C@H](C)CCOP(=O)(O)OP(=O)(O)O.
What is the InChIKey of phosphono [(3S,6E)-3,7,11-trimethyldodeca-6,10-dienyl] hydrogen phosphate?
The InChIKey is UGQVBUXMCRXOIF-HNRFISLBSA-N. The full InChI is InChI=1S/C15H30O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,15H,5-6,8,10-12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+/t15-/m0/s1.
What are the key properties of phosphono [(3S,6E)-3,7,11-trimethyldodeca-6,10-dienyl] hydrogen phosphate?
phosphono [(3S,6E)-3,7,11-trimethyldodeca-6,10-dienyl] hydrogen phosphate has a molecular weight of 384.35 g/mol, XLogP of 4.71, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono [(3S,6E)-3,7,11-trimethyldodeca-6,10-dienyl] hydrogen phosphate is sourced from PubChem (CID 137348141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).