[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methoxy-oxidophosphoryl] phosphate

C10H17O7P2-3 — CID 25200730

IUPAC[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methoxy-oxidophosphoryl] phosphate
SMILESCC(C)=C[C@@H]1[C@@H](COP(=O)([O-])OP(=O)([O-])[O-])C1(C)C
InChIInChI=1S/C10H20O7P2/c1-7(2)5-8-9(10(8,3)4)6-16-19(14,15)17-18(11,12)13/h5,8-9H,6H2,1-4H3,(H,14,15)(H2,11,12,13)/p-3/t8-,9-/m1/s1
InChIKeyAORLUAKWVIEOLL-RKDXNWHRSA-K
MW311.19 g/mol
LogP0.56
Rot. Bonds6

About [[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methoxy-oxidophosphoryl] phosphate

[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methoxy-oxidophosphoryl] phosphate (PubChem CID 25200730) has the molecular formula C10H17O7P2-3 and a molecular weight of 311.19 g/mol. Its IUPAC name is [[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methoxy-oxidophosphoryl] phosphate.

Molecular Properties

Compound Name[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methoxy-oxidophosphoryl] phosphate
PubChem CID25200730
Molecular FormulaC10H17O7P2-3
Molecular Weight311.19 g/mol
Exact Mass311.05
IUPAC Name[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methoxy-oxidophosphoryl] phosphate
SMILESCC(C)=C[C@@H]1[C@@H](COP(=O)([O-])OP(=O)([O-])[O-])C1(C)C
InChIInChI=1S/C10H20O7P2/c1-7(2)5-8-9(10(8,3)4)6-16-19(14,15)17-18(11,12)13/h5,8-9H,6H2,1-4H3,(H,14,15)(H2,11,12,13)/p-3/t8-,9-/m1/s1
InChIKeyAORLUAKWVIEOLL-RKDXNWHRSA-K
XLogP0.56
TPSA121.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Presqualene Diphosphate
CID 5280592
Prephytoene diphosphate
CID 24883415
Presqualene pyrophosphate
CID 6449797
Presqualene diphosphate(3-)
CID 25244634
Presqualene monophosphate
CID 102330427
(1R,2R,3R)-prephytoene diphosphate(3-)
CID 49791971
Presqualene monophosphate(2-)
CID 156022710
(R,R)-chrysanthemyl diphosphate
CID 24883448
Chrysanthemyl diphosphate
CID 24883449
Prelycopersene pyrophosphate
CID 5365949
[2-(4,8-Dimethylnona-3,7-dienyl)-2-methyl-3-(2,6,10-trimethylundeca-1,5,9-trienyl)cyclopropyl]methyl phosphono hydrogen phosphate
CID 468
2,3-Cyclopropylgeranyl pyrophosphate
CID 3082570

Frequently Asked Questions

What is the IUPAC name of [[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methoxy-oxidophosphoryl] phosphate?
The IUPAC name of [[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methoxy-oxidophosphoryl] phosphate (CID 25200730) is [[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methoxy-oxidophosphoryl] phosphate.
What is the SMILES notation for [[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methoxy-oxidophosphoryl] phosphate?
The canonical SMILES for [[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methoxy-oxidophosphoryl] phosphate is CC(C)=C[C@@H]1[C@@H](COP(=O)([O-])OP(=O)([O-])[O-])C1(C)C.
What is the InChIKey of [[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methoxy-oxidophosphoryl] phosphate?
The InChIKey is AORLUAKWVIEOLL-RKDXNWHRSA-K. The full InChI is InChI=1S/C10H20O7P2/c1-7(2)5-8-9(10(8,3)4)6-16-19(14,15)17-18(11,12)13/h5,8-9H,6H2,1-4H3,(H,14,15)(H2,11,12,13)/p-3/t8-,9-/m1/s1.
What are the key properties of [[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methoxy-oxidophosphoryl] phosphate?
[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methoxy-oxidophosphoryl] phosphate has a molecular weight of 311.19 g/mol, XLogP of 0.56, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methoxy-oxidophosphoryl] phosphate is sourced from PubChem (CID 25200730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).