trans-(1R,2R)-1-but-3-en-2-yl-2-diethoxyphosphorylcyclopentan-1-ol

C13H25O4P — CID 23420159

IUPACtrans-(1R,2R)-1-but-3-en-2-yl-2-diethoxyphosphorylcyclopentan-1-ol
SMILESC=CC(C)[C@]1(O)CCC[C@H]1P(=O)(OCC)OCC
InChIInChI=1S/C13H25O4P/c1-5-11(4)13(14)10-8-9-12(13)18(15,16-6-2)17-7-3/h5,11-12,14H,1,6-10H2,2-4H3/t11?,12-,13-/m1/s1
InChIKeyYQAJHDQXGQOBPK-VFRRUGBOSA-N
MW276.31 g/mol
LogP3.36
Rot. Bonds7

About trans-(1R,2R)-1-but-3-en-2-yl-2-diethoxyphosphorylcyclopentan-1-ol

trans-(1R,2R)-1-but-3-en-2-yl-2-diethoxyphosphorylcyclopentan-1-ol (PubChem CID 23420159) has the molecular formula C13H25O4P and a molecular weight of 276.31 g/mol. Its IUPAC name is trans-(1R,2R)-1-but-3-en-2-yl-2-diethoxyphosphorylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-1-but-3-en-2-yl-2-diethoxyphosphorylcyclopentan-1-ol
PubChem CID23420159
Molecular FormulaC13H25O4P
Molecular Weight276.31 g/mol
Exact Mass276.15
IUPAC Nametrans-(1R,2R)-1-but-3-en-2-yl-2-diethoxyphosphorylcyclopentan-1-ol
SMILESC=CC(C)[C@]1(O)CCC[C@H]1P(=O)(OCC)OCC
InChIInChI=1S/C13H25O4P/c1-5-11(4)13(14)10-8-9-12(13)18(15,16-6-2)17-7-3/h5,11-12,14H,1,6-10H2,2-4H3/t11?,12-,13-/m1/s1
InChIKeyYQAJHDQXGQOBPK-VFRRUGBOSA-N
XLogP3.36
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-but-3-en-2-yl-2-diethoxyphosphorylcyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-1-but-3-en-2-yl-2-diethoxyphosphorylcyclopentan-1-ol (CID 23420159) is trans-(1R,2R)-1-but-3-en-2-yl-2-diethoxyphosphorylcyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-1-but-3-en-2-yl-2-diethoxyphosphorylcyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-1-but-3-en-2-yl-2-diethoxyphosphorylcyclopentan-1-ol is C=CC(C)[C@]1(O)CCC[C@H]1P(=O)(OCC)OCC.
What is the InChIKey of trans-(1R,2R)-1-but-3-en-2-yl-2-diethoxyphosphorylcyclopentan-1-ol?
The InChIKey is YQAJHDQXGQOBPK-VFRRUGBOSA-N. The full InChI is InChI=1S/C13H25O4P/c1-5-11(4)13(14)10-8-9-12(13)18(15,16-6-2)17-7-3/h5,11-12,14H,1,6-10H2,2-4H3/t11?,12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-1-but-3-en-2-yl-2-diethoxyphosphorylcyclopentan-1-ol?
trans-(1R,2R)-1-but-3-en-2-yl-2-diethoxyphosphorylcyclopentan-1-ol has a molecular weight of 276.31 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-but-3-en-2-yl-2-diethoxyphosphorylcyclopentan-1-ol is sourced from PubChem (CID 23420159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).