trans-(1S,2R)-1-dimethoxyphosphoryl-1,2-dimethylcyclopropane

C7H15O3P — CID 23268630

IUPACtrans-(1S,2R)-1-dimethoxyphosphoryl-1,2-dimethylcyclopropane
SMILESCOP(=O)(OC)[C@@]1(C)C[C@H]1C
InChIInChI=1S/C7H15O3P/c1-6-5-7(6,2)11(8,9-3)10-4/h6H,5H2,1-4H3/t6-,7+/m1/s1
InChIKeyRVHWSNVUMGHVOS-RQJHMYQMSA-N
MW178.17 g/mol
LogP2.27
Rot. Bonds3

About trans-(1S,2R)-1-dimethoxyphosphoryl-1,2-dimethylcyclopropane

trans-(1S,2R)-1-dimethoxyphosphoryl-1,2-dimethylcyclopropane (PubChem CID 23268630) has the molecular formula C7H15O3P and a molecular weight of 178.17 g/mol. Its IUPAC name is trans-(1S,2R)-1-dimethoxyphosphoryl-1,2-dimethylcyclopropane.

Molecular Properties

Compound Nametrans-(1S,2R)-1-dimethoxyphosphoryl-1,2-dimethylcyclopropane
PubChem CID23268630
Molecular FormulaC7H15O3P
Molecular Weight178.17 g/mol
Exact Mass178.08
IUPAC Nametrans-(1S,2R)-1-dimethoxyphosphoryl-1,2-dimethylcyclopropane
SMILESCOP(=O)(OC)[C@@]1(C)C[C@H]1C
InChIInChI=1S/C7H15O3P/c1-6-5-7(6,2)11(8,9-3)10-4/h6H,5H2,1-4H3/t6-,7+/m1/s1
InChIKeyRVHWSNVUMGHVOS-RQJHMYQMSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R,5R)-4-dimethoxyphosphoryl-1,2,5-trimethylpiperidin-4-ol
CID 51412260
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
O-[(1R,2R)-1,2-dimethylcyclopropyl]hydroxylamine
CID 54107984
dimethoxyphosphorylcyclopropane
CID 175710537
2-dimethoxyphosphoryl-2-methoxythiirane
CID 71326810
1-(1,2-dimethylcyclopropyl)oxy-1,2-dimethylcyclopropane
CID 175071290
1-ethyl-1-(2-methoxyethyl)-2-methylcyclopropane
CID 164557776
1,2-dimethyl-1-propan-2-ylcyclopropane
CID 91248342
(2S,4R,5R)-1-(benzenesulfonyl)-4-dimethoxyphosphoryl-2,5-dimethylpiperidin-4-ol
CID 6565192
CID 162401464
CID 162401464
[iodo(methoxy)phosphoryl]oxymethane
CID 14593808
(2R)-1-fluoro-1,2-dimethylcyclopropane
CID 147738297

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1-dimethoxyphosphoryl-1,2-dimethylcyclopropane?
The IUPAC name of trans-(1S,2R)-1-dimethoxyphosphoryl-1,2-dimethylcyclopropane (CID 23268630) is trans-(1S,2R)-1-dimethoxyphosphoryl-1,2-dimethylcyclopropane.
What is the SMILES notation for trans-(1S,2R)-1-dimethoxyphosphoryl-1,2-dimethylcyclopropane?
The canonical SMILES for trans-(1S,2R)-1-dimethoxyphosphoryl-1,2-dimethylcyclopropane is COP(=O)(OC)[C@@]1(C)C[C@H]1C.
What is the InChIKey of trans-(1S,2R)-1-dimethoxyphosphoryl-1,2-dimethylcyclopropane?
The InChIKey is RVHWSNVUMGHVOS-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H15O3P/c1-6-5-7(6,2)11(8,9-3)10-4/h6H,5H2,1-4H3/t6-,7+/m1/s1.
What are the key properties of trans-(1S,2R)-1-dimethoxyphosphoryl-1,2-dimethylcyclopropane?
trans-(1S,2R)-1-dimethoxyphosphoryl-1,2-dimethylcyclopropane has a molecular weight of 178.17 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-dimethoxyphosphoryl-1,2-dimethylcyclopropane is sourced from PubChem (CID 23268630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).