(2R,3R)-2-butyl-3-[(2Z,4Z)-6-[(2R,3R)-2-butyl-3,6-dihydro-2H-pyran-3-yl]hexa-2,4-dienyl]-3,6-dihydro-2H-pyran

C24H38O2 — CID 134864868

IUPAC(2R,3R)-2-butyl-3-[(2Z,4Z)-6-[(2R,3R)-2-butyl-3,6-dihydro-2H-pyran-3-yl]hexa-2,4-dienyl]-3,6-dihydro-2H-pyran
SMILESCCCC[C@H]1OCC=C[C@H]1C/C=C\C=C/C[C@@H]1C=CCO[C@@H]1CCCC
InChIInChI=1S/C24H38O2/c1-3-5-17-23-21(15-11-19-25-23)13-9-7-8-10-14-22-16-12-20-26-24(22)18-6-4-2/h7-12,15-16,21-24H,3-6,13-14,17-20H2,1-2H3/b9-7-,10-8-/t21-,22-,23-,24-/m1/s1
InChIKeyKJBJTUCKABVQRX-KFTFQPCQSA-N
MW358.57 g/mol
LogP6.40
Rot. Bonds11

About (2R,3R)-2-butyl-3-[(2Z,4Z)-6-[(2R,3R)-2-butyl-3,6-dihydro-2H-pyran-3-yl]hexa-2,4-dienyl]-3,6-dihydro-2H-pyran

(2R,3R)-2-butyl-3-[(2Z,4Z)-6-[(2R,3R)-2-butyl-3,6-dihydro-2H-pyran-3-yl]hexa-2,4-dienyl]-3,6-dihydro-2H-pyran (PubChem CID 134864868) has the molecular formula C24H38O2 and a molecular weight of 358.57 g/mol. Its IUPAC name is (2R,3R)-2-butyl-3-[(2Z,4Z)-6-[(2R,3R)-2-butyl-3,6-dihydro-2H-pyran-3-yl]hexa-2,4-dienyl]-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R,3R)-2-butyl-3-[(2Z,4Z)-6-[(2R,3R)-2-butyl-3,6-dihydro-2H-pyran-3-yl]hexa-2,4-dienyl]-3,6-dihydro-2H-pyran
PubChem CID134864868
Molecular FormulaC24H38O2
Molecular Weight358.57 g/mol
Exact Mass358.29
IUPAC Name(2R,3R)-2-butyl-3-[(2Z,4Z)-6-[(2R,3R)-2-butyl-3,6-dihydro-2H-pyran-3-yl]hexa-2,4-dienyl]-3,6-dihydro-2H-pyran
SMILESCCCC[C@H]1OCC=C[C@H]1C/C=C\C=C/C[C@@H]1C=CCO[C@@H]1CCCC
InChIInChI=1S/C24H38O2/c1-3-5-17-23-21(15-11-19-25-23)13-9-7-8-10-14-22-16-12-20-26-24(22)18-6-4-2/h7-12,15-16,21-24H,3-6,13-14,17-20H2,1-2H3/b9-7-,10-8-/t21-,22-,23-,24-/m1/s1
InChIKeyKJBJTUCKABVQRX-KFTFQPCQSA-N
XLogP6.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-butyl-3-[(2Z,4Z)-6-[(2R,3R)-2-butyl-3,6-dihydro-2H-pyran-3-yl]hexa-2,4-dienyl]-3,6-dihydro-2H-pyran?
The IUPAC name of (2R,3R)-2-butyl-3-[(2Z,4Z)-6-[(2R,3R)-2-butyl-3,6-dihydro-2H-pyran-3-yl]hexa-2,4-dienyl]-3,6-dihydro-2H-pyran (CID 134864868) is (2R,3R)-2-butyl-3-[(2Z,4Z)-6-[(2R,3R)-2-butyl-3,6-dihydro-2H-pyran-3-yl]hexa-2,4-dienyl]-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2R,3R)-2-butyl-3-[(2Z,4Z)-6-[(2R,3R)-2-butyl-3,6-dihydro-2H-pyran-3-yl]hexa-2,4-dienyl]-3,6-dihydro-2H-pyran?
The canonical SMILES for (2R,3R)-2-butyl-3-[(2Z,4Z)-6-[(2R,3R)-2-butyl-3,6-dihydro-2H-pyran-3-yl]hexa-2,4-dienyl]-3,6-dihydro-2H-pyran is CCCC[C@H]1OCC=C[C@H]1C/C=C\C=C/C[C@@H]1C=CCO[C@@H]1CCCC.
What is the InChIKey of (2R,3R)-2-butyl-3-[(2Z,4Z)-6-[(2R,3R)-2-butyl-3,6-dihydro-2H-pyran-3-yl]hexa-2,4-dienyl]-3,6-dihydro-2H-pyran?
The InChIKey is KJBJTUCKABVQRX-KFTFQPCQSA-N. The full InChI is InChI=1S/C24H38O2/c1-3-5-17-23-21(15-11-19-25-23)13-9-7-8-10-14-22-16-12-20-26-24(22)18-6-4-2/h7-12,15-16,21-24H,3-6,13-14,17-20H2,1-2H3/b9-7-,10-8-/t21-,22-,23-,24-/m1/s1.
What are the key properties of (2R,3R)-2-butyl-3-[(2Z,4Z)-6-[(2R,3R)-2-butyl-3,6-dihydro-2H-pyran-3-yl]hexa-2,4-dienyl]-3,6-dihydro-2H-pyran?
(2R,3R)-2-butyl-3-[(2Z,4Z)-6-[(2R,3R)-2-butyl-3,6-dihydro-2H-pyran-3-yl]hexa-2,4-dienyl]-3,6-dihydro-2H-pyran has a molecular weight of 358.57 g/mol, XLogP of 6.40, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-butyl-3-[(2Z,4Z)-6-[(2R,3R)-2-butyl-3,6-dihydro-2H-pyran-3-yl]hexa-2,4-dienyl]-3,6-dihydro-2H-pyran is sourced from PubChem (CID 134864868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).