4,8-dimethylnona-3,7-dien-2-yl phosphono hydrogen phosphate

C11H22O7P2 — CID 91272571

IUPAC4,8-dimethylnona-3,7-dien-2-yl phosphono hydrogen phosphate
SMILESCC(C)=CCCC(C)=CC(C)OP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C11H22O7P2/c1-9(2)6-5-7-10(3)8-11(4)17-20(15,16)18-19(12,13)14/h6,8,11H,5,7H2,1-4H3,(H,15,16)(H2,12,13,14)
InChIKeyFHZCCVCSWZAFAA-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.29
Rot. Bonds8

About 4,8-dimethylnona-3,7-dien-2-yl phosphono hydrogen phosphate

4,8-dimethylnona-3,7-dien-2-yl phosphono hydrogen phosphate (PubChem CID 91272571) has the molecular formula C11H22O7P2 and a molecular weight of 328.24 g/mol. Its IUPAC name is 4,8-dimethylnona-3,7-dien-2-yl phosphono hydrogen phosphate.

Molecular Properties

Compound Name4,8-dimethylnona-3,7-dien-2-yl phosphono hydrogen phosphate
PubChem CID91272571
Molecular FormulaC11H22O7P2
Molecular Weight328.24 g/mol
Exact Mass328.08
IUPAC Name4,8-dimethylnona-3,7-dien-2-yl phosphono hydrogen phosphate
SMILESCC(C)=CCCC(C)=CC(C)OP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C11H22O7P2/c1-9(2)6-5-7-10(3)8-11(4)17-20(15,16)18-19(12,13)14/h6,8,11H,5,7H2,1-4H3,(H,15,16)(H2,12,13,14)
InChIKeyFHZCCVCSWZAFAA-UHFFFAOYSA-N
XLogP3.29
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.29
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

Farnesyl pyrophosphate
CID 445713
Geranyl Diphosphate
CID 445995
Geranylgeranyl pyrophosphate
CID 447277
All-trans-nonaprenyl diphosphate
CID 5280650
2-cis,6-trans-Farnesyl diphosphate
CID 445683
2-cis,6-trans,10-trans-Geranylgeranyl diphosphate
CID 5281909
All-trans-hexaprenyl diphosphate
CID 5280413
Octaprenyl diphosphate
CID 5280651
2-Trans,6-trans,10-trans-geranylgeranyl diphosphate(3-)
CID 5497105
2-Trans,6-cis-farnesyl diphosphate
CID 10970974
2-Trans,6-trans-farnesyl diphosphate(3-)
CID 15983959
All-trans-decaprenyl diphosphate
CID 5462210

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethylnona-3,7-dien-2-yl phosphono hydrogen phosphate?
The IUPAC name of 4,8-dimethylnona-3,7-dien-2-yl phosphono hydrogen phosphate (CID 91272571) is 4,8-dimethylnona-3,7-dien-2-yl phosphono hydrogen phosphate.
What is the SMILES notation for 4,8-dimethylnona-3,7-dien-2-yl phosphono hydrogen phosphate?
The canonical SMILES for 4,8-dimethylnona-3,7-dien-2-yl phosphono hydrogen phosphate is CC(C)=CCCC(C)=CC(C)OP(=O)(O)OP(=O)(O)O.
What is the InChIKey of 4,8-dimethylnona-3,7-dien-2-yl phosphono hydrogen phosphate?
The InChIKey is FHZCCVCSWZAFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O7P2/c1-9(2)6-5-7-10(3)8-11(4)17-20(15,16)18-19(12,13)14/h6,8,11H,5,7H2,1-4H3,(H,15,16)(H2,12,13,14).
What are the key properties of 4,8-dimethylnona-3,7-dien-2-yl phosphono hydrogen phosphate?
4,8-dimethylnona-3,7-dien-2-yl phosphono hydrogen phosphate has a molecular weight of 328.24 g/mol, XLogP of 3.29, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethylnona-3,7-dien-2-yl phosphono hydrogen phosphate is sourced from PubChem (CID 91272571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).