(5R)-5-[(1R,2S)-2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-formylcyclopropyl]cyclopent-2-ene-1,2-dicarbaldehyde

C20H26O3 — CID 23425162

IUPAC(5R)-5-[(1R,2S)-2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-formylcyclopropyl]cyclopent-2-ene-1,2-dicarbaldehyde
SMILESCC(C)=CCC/C(C)=C/[C@@H]1C[C@]1(C=O)[C@@H]1CC=C(C=O)C1C=O
InChIInChI=1S/C20H26O3/c1-14(2)5-4-6-15(3)9-17-10-20(17,13-23)19-8-7-16(11-21)18(19)12-22/h5,7,9,11-13,17-19H,4,6,8,10H2,1-3H3/b15-9+/t17-,18?,19-,20-/m1/s1
InChIKeyJJRGQMNMBLIDMV-GCWTWELTSA-N
MW314.43 g/mol
LogP3.84
Rot. Bonds8

About (5R)-5-[(1R,2S)-2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-formylcyclopropyl]cyclopent-2-ene-1,2-dicarbaldehyde

(5R)-5-[(1R,2S)-2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-formylcyclopropyl]cyclopent-2-ene-1,2-dicarbaldehyde (PubChem CID 23425162) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is (5R)-5-[(1R,2S)-2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-formylcyclopropyl]cyclopent-2-ene-1,2-dicarbaldehyde.

Molecular Properties

Compound Name(5R)-5-[(1R,2S)-2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-formylcyclopropyl]cyclopent-2-ene-1,2-dicarbaldehyde
PubChem CID23425162
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Name(5R)-5-[(1R,2S)-2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-formylcyclopropyl]cyclopent-2-ene-1,2-dicarbaldehyde
SMILESCC(C)=CCC/C(C)=C/[C@@H]1C[C@]1(C=O)[C@@H]1CC=C(C=O)C1C=O
InChIInChI=1S/C20H26O3/c1-14(2)5-4-6-15(3)9-17-10-20(17,13-23)19-8-7-16(11-21)18(19)12-22/h5,7,9,11-13,17-19H,4,6,8,10H2,1-3H3/b15-9+/t17-,18?,19-,20-/m1/s1
InChIKeyJJRGQMNMBLIDMV-GCWTWELTSA-N
XLogP3.84
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1R,2S)-2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-formylcyclopropyl]cyclopent-2-ene-1,2-dicarbaldehyde?
The IUPAC name of (5R)-5-[(1R,2S)-2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-formylcyclopropyl]cyclopent-2-ene-1,2-dicarbaldehyde (CID 23425162) is (5R)-5-[(1R,2S)-2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-formylcyclopropyl]cyclopent-2-ene-1,2-dicarbaldehyde.
What is the SMILES notation for (5R)-5-[(1R,2S)-2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-formylcyclopropyl]cyclopent-2-ene-1,2-dicarbaldehyde?
The canonical SMILES for (5R)-5-[(1R,2S)-2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-formylcyclopropyl]cyclopent-2-ene-1,2-dicarbaldehyde is CC(C)=CCC/C(C)=C/[C@@H]1C[C@]1(C=O)[C@@H]1CC=C(C=O)C1C=O.
What is the InChIKey of (5R)-5-[(1R,2S)-2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-formylcyclopropyl]cyclopent-2-ene-1,2-dicarbaldehyde?
The InChIKey is JJRGQMNMBLIDMV-GCWTWELTSA-N. The full InChI is InChI=1S/C20H26O3/c1-14(2)5-4-6-15(3)9-17-10-20(17,13-23)19-8-7-16(11-21)18(19)12-22/h5,7,9,11-13,17-19H,4,6,8,10H2,1-3H3/b15-9+/t17-,18?,19-,20-/m1/s1.
What are the key properties of (5R)-5-[(1R,2S)-2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-formylcyclopropyl]cyclopent-2-ene-1,2-dicarbaldehyde?
(5R)-5-[(1R,2S)-2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-formylcyclopropyl]cyclopent-2-ene-1,2-dicarbaldehyde has a molecular weight of 314.43 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1R,2S)-2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-formylcyclopropyl]cyclopent-2-ene-1,2-dicarbaldehyde is sourced from PubChem (CID 23425162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).