3,7-dimethyloct-6-enyl phosphate

C10H19O4P-2 — CID 22742052

IUPAC3,7-dimethyloct-6-enyl phosphate
SMILESCC(C)=CCCC(C)CCOP(=O)([O-])[O-]
InChIInChI=1S/C10H21O4P/c1-9(2)5-4-6-10(3)7-8-14-15(11,12)13/h5,10H,4,6-8H2,1-3H3,(H2,11,12,13)/p-2
InChIKeyQQFRZBHFFRFUIH-UHFFFAOYSA-L
MW234.23 g/mol
LogP1.60
Rot. Bonds7

About 3,7-dimethyloct-6-enyl phosphate

3,7-dimethyloct-6-enyl phosphate (PubChem CID 22742052) has the molecular formula C10H19O4P-2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 3,7-dimethyloct-6-enyl phosphate.

Molecular Properties

Compound Name3,7-dimethyloct-6-enyl phosphate
PubChem CID22742052
Molecular FormulaC10H19O4P-2
Molecular Weight234.23 g/mol
Exact Mass234.10
IUPAC Name3,7-dimethyloct-6-enyl phosphate
SMILESCC(C)=CCCC(C)CCOP(=O)([O-])[O-]
InChIInChI=1S/C10H21O4P/c1-9(2)5-4-6-10(3)7-8-14-15(11,12)13/h5,10H,4,6-8H2,1-3H3,(H2,11,12,13)/p-2
InChIKeyQQFRZBHFFRFUIH-UHFFFAOYSA-L
XLogP1.60
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.60
H-Bond Donors ≤ 50
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

Dolichol phosphate
CID 5280322
Dolichyl diphosphate
CID 24892721
Dolichyl-4 phosphate
CID 24892715
Dolichyl phosphate dianion
CID 46906034
[(3S)-3,7-dimethyloct-6-enyl] phosphono hydrogen phosphate
CID 137642186
6,7-Dihydrogeranyl pyrophosphate
CID 483412
Dolichyl diphosphate trianion
CID 46878381
(R)-lavandulyl diphosphate
CID 16071112
Dolichol-pp
CID 155804591
[[(3S)-3,7-dimethyloct-6-enoxy]-hydroxyphosphoryl]methylphosphonic acid
CID 137635073
[(3S)-3,7-dimethyloct-6-enyl] dihydrogen phosphate
CID 137652277
Dihydrodecaprenyl phosphate
CID 6438820

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyloct-6-enyl phosphate?
The IUPAC name of 3,7-dimethyloct-6-enyl phosphate (CID 22742052) is 3,7-dimethyloct-6-enyl phosphate.
What is the SMILES notation for 3,7-dimethyloct-6-enyl phosphate?
The canonical SMILES for 3,7-dimethyloct-6-enyl phosphate is CC(C)=CCCC(C)CCOP(=O)([O-])[O-].
What is the InChIKey of 3,7-dimethyloct-6-enyl phosphate?
The InChIKey is QQFRZBHFFRFUIH-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H21O4P/c1-9(2)5-4-6-10(3)7-8-14-15(11,12)13/h5,10H,4,6-8H2,1-3H3,(H2,11,12,13)/p-2.
What are the key properties of 3,7-dimethyloct-6-enyl phosphate?
3,7-dimethyloct-6-enyl phosphate has a molecular weight of 234.23 g/mol, XLogP of 1.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyloct-6-enyl phosphate is sourced from PubChem (CID 22742052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).