(1R,3R)-1-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-3-phenyl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphole

C18H26NO3P — CID 58528133

IUPAC(1R,3R)-1-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-3-phenyl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphole
SMILESCC[C@H]1O[C@@H](C)CC1O[P@@]1O[C@H](c2ccccc2)C2CCCN21
InChIInChI=1S/C18H26NO3P/c1-3-16-17(12-13(2)20-16)21-23-19-11-7-10-15(19)18(22-23)14-8-5-4-6-9-14/h4-6,8-9,13,15-18H,3,7,10-12H2,1-2H3/t13-,15?,16+,17?,18+,23-/m0/s1
InChIKeyWRLGEMGJBMOJFH-MNQHHKBYSA-N
MW335.38 g/mol
LogP4.42
Rot. Bonds4

About (1R,3R)-1-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-3-phenyl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphole

(1R,3R)-1-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-3-phenyl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphole (PubChem CID 58528133) has the molecular formula C18H26NO3P and a molecular weight of 335.38 g/mol. Its IUPAC name is (1R,3R)-1-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-3-phenyl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphole.

Molecular Properties

Compound Name(1R,3R)-1-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-3-phenyl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphole
PubChem CID58528133
Molecular FormulaC18H26NO3P
Molecular Weight335.38 g/mol
Exact Mass335.17
IUPAC Name(1R,3R)-1-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-3-phenyl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphole
SMILESCC[C@H]1O[C@@H](C)CC1O[P@@]1O[C@H](c2ccccc2)C2CCCN21
InChIInChI=1S/C18H26NO3P/c1-3-16-17(12-13(2)20-16)21-23-19-11-7-10-15(19)18(22-23)14-8-5-4-6-9-14/h4-6,8-9,13,15-18H,3,7,10-12H2,1-2H3/t13-,15?,16+,17?,18+,23-/m0/s1
InChIKeyWRLGEMGJBMOJFH-MNQHHKBYSA-N
XLogP4.42
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,3R)-1-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-3-phenyl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphole?
The IUPAC name of (1R,3R)-1-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-3-phenyl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphole (CID 58528133) is (1R,3R)-1-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-3-phenyl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphole.
What is the SMILES notation for (1R,3R)-1-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-3-phenyl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphole?
The canonical SMILES for (1R,3R)-1-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-3-phenyl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphole is CC[C@H]1O[C@@H](C)CC1O[P@@]1O[C@H](c2ccccc2)C2CCCN21.
What is the InChIKey of (1R,3R)-1-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-3-phenyl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphole?
The InChIKey is WRLGEMGJBMOJFH-MNQHHKBYSA-N. The full InChI is InChI=1S/C18H26NO3P/c1-3-16-17(12-13(2)20-16)21-23-19-11-7-10-15(19)18(22-23)14-8-5-4-6-9-14/h4-6,8-9,13,15-18H,3,7,10-12H2,1-2H3/t13-,15?,16+,17?,18+,23-/m0/s1.
What are the key properties of (1R,3R)-1-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-3-phenyl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphole?
(1R,3R)-1-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-3-phenyl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphole has a molecular weight of 335.38 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-1-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-3-phenyl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphole is sourced from PubChem (CID 58528133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).