trans-(2R,3R)-1-di(propan-2-yloxy)phosphoryl-2-ethenyl-3-methylcyclopropane

C12H23O3P — CID 101249807

IUPACtrans-(2R,3R)-1-di(propan-2-yloxy)phosphoryl-2-ethenyl-3-methylcyclopropane
SMILESC=C[C@H]1C(P(=O)(OC(C)C)OC(C)C)[C@@H]1C
InChIInChI=1S/C12H23O3P/c1-7-11-10(6)12(11)16(13,14-8(2)3)15-9(4)5/h7-12H,1H2,2-6H3/t10-,11-,12?/m1/s1
InChIKeySCRZFBUAQBAYDF-XFKKCKKNSA-N
MW246.29 g/mol
LogP3.85
Rot. Bonds6

About trans-(2R,3R)-1-di(propan-2-yloxy)phosphoryl-2-ethenyl-3-methylcyclopropane

trans-(2R,3R)-1-di(propan-2-yloxy)phosphoryl-2-ethenyl-3-methylcyclopropane (PubChem CID 101249807) has the molecular formula C12H23O3P and a molecular weight of 246.29 g/mol. Its IUPAC name is trans-(2R,3R)-1-di(propan-2-yloxy)phosphoryl-2-ethenyl-3-methylcyclopropane.

Molecular Properties

Compound Nametrans-(2R,3R)-1-di(propan-2-yloxy)phosphoryl-2-ethenyl-3-methylcyclopropane
PubChem CID101249807
Molecular FormulaC12H23O3P
Molecular Weight246.29 g/mol
Exact Mass246.14
IUPAC Nametrans-(2R,3R)-1-di(propan-2-yloxy)phosphoryl-2-ethenyl-3-methylcyclopropane
SMILESC=C[C@H]1C(P(=O)(OC(C)C)OC(C)C)[C@@H]1C
InChIInChI=1S/C12H23O3P/c1-7-11-10(6)12(11)16(13,14-8(2)3)15-9(4)5/h7-12H,1H2,2-6H3/t10-,11-,12?/m1/s1
InChIKeySCRZFBUAQBAYDF-XFKKCKKNSA-N
XLogP3.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-methyl-1-[methyl(propan-2-yloxy)phosphoryl]but-1-ene
CID 12062970
(E)-1-diethoxyphosphoryl-4-methylpent-1-ene
CID 13291223
Diisobutyl hexenyl phosphonate
CID 129760246
2-[(E)-2-diethoxyphosphorylethenyl]-1,1-dimethylcyclopropane
CID 138983871
2-Diethoxyphosphorylhex-5-enylcyclopropane
CID 53392046
4-Di(propan-2-yloxy)phosphoryl-3-methylbut-1-ene
CID 71665160
4-[2-Di(propan-2-yloxy)phosphorylethyl]cyclopentene
CID 15667258
2-Methylpropoxy-oxo-pent-4-enylphosphanium
CID 56979216
Oxo-pent-4-enyl-propan-2-yloxyphosphanium
CID 57242365
[(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxyphosphinic acid
CID 58212588
cis-(1S,2S)-1-diethoxyphosphoryl-2-ethenyl-1-methylcyclopropane
CID 58212706
trans-(1S,2S)-1-[butan-2-yl(ethoxy)phosphoryl]-2-ethenylcyclopropane
CID 70329993

Frequently Asked Questions

What is the IUPAC name of trans-(2R,3R)-1-di(propan-2-yloxy)phosphoryl-2-ethenyl-3-methylcyclopropane?
The IUPAC name of trans-(2R,3R)-1-di(propan-2-yloxy)phosphoryl-2-ethenyl-3-methylcyclopropane (CID 101249807) is trans-(2R,3R)-1-di(propan-2-yloxy)phosphoryl-2-ethenyl-3-methylcyclopropane.
What is the SMILES notation for trans-(2R,3R)-1-di(propan-2-yloxy)phosphoryl-2-ethenyl-3-methylcyclopropane?
The canonical SMILES for trans-(2R,3R)-1-di(propan-2-yloxy)phosphoryl-2-ethenyl-3-methylcyclopropane is C=C[C@H]1C(P(=O)(OC(C)C)OC(C)C)[C@@H]1C.
What is the InChIKey of trans-(2R,3R)-1-di(propan-2-yloxy)phosphoryl-2-ethenyl-3-methylcyclopropane?
The InChIKey is SCRZFBUAQBAYDF-XFKKCKKNSA-N. The full InChI is InChI=1S/C12H23O3P/c1-7-11-10(6)12(11)16(13,14-8(2)3)15-9(4)5/h7-12H,1H2,2-6H3/t10-,11-,12?/m1/s1.
What are the key properties of trans-(2R,3R)-1-di(propan-2-yloxy)phosphoryl-2-ethenyl-3-methylcyclopropane?
trans-(2R,3R)-1-di(propan-2-yloxy)phosphoryl-2-ethenyl-3-methylcyclopropane has a molecular weight of 246.29 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,3R)-1-di(propan-2-yloxy)phosphoryl-2-ethenyl-3-methylcyclopropane is sourced from PubChem (CID 101249807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).