(7R,8R)-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol

C24H39NO2 — CID 11617702

IUPAC(7R,8R)-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol
SMILESCC(C)c1cc(C(C)C)c([C@H](C)O[C@@H]2CCN3CCC(O)[C@H]23)c(C(C)C)c1
InChIInChI=1S/C24H39NO2/c1-14(2)18-12-19(15(3)4)23(20(13-18)16(5)6)17(7)27-22-9-11-25-10-8-21(26)24(22)25/h12-17,21-22,24,26H,8-11H2,1-7H3/t17-,21?,22+,24+/m0/s1
InChIKeyGPTDJBLRZVBEHT-CPEVCAPKSA-N
MW373.58 g/mol
LogP5.34
Rot. Bonds6

About (7R,8R)-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol

(7R,8R)-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol (PubChem CID 11617702) has the molecular formula C24H39NO2 and a molecular weight of 373.58 g/mol. Its IUPAC name is (7R,8R)-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol.

Molecular Properties

Compound Name(7R,8R)-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol
PubChem CID11617702
Molecular FormulaC24H39NO2
Molecular Weight373.58 g/mol
Exact Mass373.30
IUPAC Name(7R,8R)-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol
SMILESCC(C)c1cc(C(C)C)c([C@H](C)O[C@@H]2CCN3CCC(O)[C@H]23)c(C(C)C)c1
InChIInChI=1S/C24H39NO2/c1-14(2)18-12-19(15(3)4)23(20(13-18)16(5)6)17(7)27-22-9-11-25-10-8-21(26)24(22)25/h12-17,21-22,24,26H,8-11H2,1-7H3/t17-,21?,22+,24+/m0/s1
InChIKeyGPTDJBLRZVBEHT-CPEVCAPKSA-N
XLogP5.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.58
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7R,8R)-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7R,8R)-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol?
The IUPAC name of (7R,8R)-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol (CID 11617702) is (7R,8R)-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol.
What is the SMILES notation for (7R,8R)-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol?
The canonical SMILES for (7R,8R)-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol is CC(C)c1cc(C(C)C)c([C@H](C)O[C@@H]2CCN3CCC(O)[C@H]23)c(C(C)C)c1.
What is the InChIKey of (7R,8R)-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol?
The InChIKey is GPTDJBLRZVBEHT-CPEVCAPKSA-N. The full InChI is InChI=1S/C24H39NO2/c1-14(2)18-12-19(15(3)4)23(20(13-18)16(5)6)17(7)27-22-9-11-25-10-8-21(26)24(22)25/h12-17,21-22,24,26H,8-11H2,1-7H3/t17-,21?,22+,24+/m0/s1.
What are the key properties of (7R,8R)-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol?
(7R,8R)-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol has a molecular weight of 373.58 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8R)-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol is sourced from PubChem (CID 11617702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).