4,7-dimethyloct-7-enyl dihydrogen phosphate

C10H21O4P — CID 143763778

IUPAC4,7-dimethyloct-7-enyl dihydrogen phosphate
SMILESC=C(C)CCC(C)CCCOP(=O)(O)O
InChIInChI=1S/C10H21O4P/c1-9(2)6-7-10(3)5-4-8-14-15(11,12)13/h10H,1,4-8H2,2-3H3,(H2,11,12,13)
InChIKeyOINQNMCIRRUUOD-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.87
Rot. Bonds8

About 4,7-dimethyloct-7-enyl dihydrogen phosphate

4,7-dimethyloct-7-enyl dihydrogen phosphate (PubChem CID 143763778) has the molecular formula C10H21O4P and a molecular weight of 236.25 g/mol. Its IUPAC name is 4,7-dimethyloct-7-enyl dihydrogen phosphate.

Molecular Properties

Compound Name4,7-dimethyloct-7-enyl dihydrogen phosphate
PubChem CID143763778
Molecular FormulaC10H21O4P
Molecular Weight236.25 g/mol
Exact Mass236.12
IUPAC Name4,7-dimethyloct-7-enyl dihydrogen phosphate
SMILESC=C(C)CCC(C)CCCOP(=O)(O)O
InChIInChI=1S/C10H21O4P/c1-9(2)6-7-10(3)5-4-8-14-15(11,12)13/h10H,1,4-8H2,2-3H3,(H2,11,12,13)
InChIKeyOINQNMCIRRUUOD-UHFFFAOYSA-N
XLogP2.87
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dolichol phosphate
CID 5280322
3-Methylideneheptyl phosphono hydrogen phosphate
CID 44319626
[(3S)-3,7-dimethyloct-6-enyl] dihydrogen phosphate
CID 137652277
[(3R)-3,31-dimethyl-7,11,15,19,23,27-hexamethylidenedotriacont-31-enyl] dihydrogen phosphate
CID 138753328
[(E)-3,8-dimethyldec-7-enyl] phosphono hydrogen phosphate
CID 5462166
3,7-Dimethyloct-6-enyl dihydrogen phosphate
CID 10105516
phosphono [(E)-3,7,11,15-tetramethylhexadec-10-enyl] hydrogen phosphate
CID 51351829
3,8-Dimethyldec-7-enyl dihydrogen phosphate
CID 680
(2-Butan-2-yl-3-methylpent-1-enyl) dihydrogen phosphate
CID 18764573
2,6-Dimethyloct-7-enyl dihydrogen phosphate
CID 87240044
1-Cyclohexylethenyl diethyl phosphate
CID 102035159
4-Prop-2-enylhept-6-enyl dihydrogen phosphate
CID 121482509

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyloct-7-enyl dihydrogen phosphate?
The IUPAC name of 4,7-dimethyloct-7-enyl dihydrogen phosphate (CID 143763778) is 4,7-dimethyloct-7-enyl dihydrogen phosphate.
What is the SMILES notation for 4,7-dimethyloct-7-enyl dihydrogen phosphate?
The canonical SMILES for 4,7-dimethyloct-7-enyl dihydrogen phosphate is C=C(C)CCC(C)CCCOP(=O)(O)O.
What is the InChIKey of 4,7-dimethyloct-7-enyl dihydrogen phosphate?
The InChIKey is OINQNMCIRRUUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O4P/c1-9(2)6-7-10(3)5-4-8-14-15(11,12)13/h10H,1,4-8H2,2-3H3,(H2,11,12,13).
What are the key properties of 4,7-dimethyloct-7-enyl dihydrogen phosphate?
4,7-dimethyloct-7-enyl dihydrogen phosphate has a molecular weight of 236.25 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyloct-7-enyl dihydrogen phosphate is sourced from PubChem (CID 143763778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).