2-[(E)-1-[(1S)-2-(oxan-2-yloxy)cyclopentyl]oct-1-en-3-yl]oxyoxane

C23H40O4 — CID 167022137

IUPAC2-[(E)-1-[(1S)-2-(oxan-2-yloxy)cyclopentyl]oct-1-en-3-yl]oxyoxane
SMILESCCCCCC(/C=C/[C@@H]1CCCC1OC1CCCCO1)OC1CCCCO1
InChIInChI=1S/C23H40O4/c1-2-3-4-11-20(26-22-13-5-7-17-24-22)16-15-19-10-9-12-21(19)27-23-14-6-8-18-25-23/h15-16,19-23H,2-14,17-18H2,1H3/b16-15+/t19-,20?,21?,22?,23?/m0/s1
InChIKeyQCJBNGNEDHEEDE-IQUMIREOSA-N
MW380.57 g/mol
LogP5.75
Rot. Bonds10

About 2-[(E)-1-[(1S)-2-(oxan-2-yloxy)cyclopentyl]oct-1-en-3-yl]oxyoxane

2-[(E)-1-[(1S)-2-(oxan-2-yloxy)cyclopentyl]oct-1-en-3-yl]oxyoxane (PubChem CID 167022137) has the molecular formula C23H40O4 and a molecular weight of 380.57 g/mol. Its IUPAC name is 2-[(E)-1-[(1S)-2-(oxan-2-yloxy)cyclopentyl]oct-1-en-3-yl]oxyoxane.

Molecular Properties

Compound Name2-[(E)-1-[(1S)-2-(oxan-2-yloxy)cyclopentyl]oct-1-en-3-yl]oxyoxane
PubChem CID167022137
Molecular FormulaC23H40O4
Molecular Weight380.57 g/mol
Exact Mass380.29
IUPAC Name2-[(E)-1-[(1S)-2-(oxan-2-yloxy)cyclopentyl]oct-1-en-3-yl]oxyoxane
SMILESCCCCCC(/C=C/[C@@H]1CCCC1OC1CCCCO1)OC1CCCCO1
InChIInChI=1S/C23H40O4/c1-2-3-4-11-20(26-22-13-5-7-17-24-22)16-15-19-10-9-12-21(19)27-23-14-6-8-18-25-23/h15-16,19-23H,2-14,17-18H2,1H3/b16-15+/t19-,20?,21?,22?,23?/m0/s1
InChIKeyQCJBNGNEDHEEDE-IQUMIREOSA-N
XLogP5.75
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.57
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 70363413
CID 70363413
CID 134849756
CID 134849756
CID 135046135
CID 135046135
CID 135050594
CID 135050594
CID 53834121
CID 53834121
CID 54573244
CID 54573244
CID 57033763
CID 57033763
CID 57129505
CID 57129505
CID 57290182
CID 57290182
CID 58700536
CID 58700536
CID 68117406
CID 68117406
CID 68120129
CID 68120129

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-[(1S)-2-(oxan-2-yloxy)cyclopentyl]oct-1-en-3-yl]oxyoxane?
The IUPAC name of 2-[(E)-1-[(1S)-2-(oxan-2-yloxy)cyclopentyl]oct-1-en-3-yl]oxyoxane (CID 167022137) is 2-[(E)-1-[(1S)-2-(oxan-2-yloxy)cyclopentyl]oct-1-en-3-yl]oxyoxane.
What is the SMILES notation for 2-[(E)-1-[(1S)-2-(oxan-2-yloxy)cyclopentyl]oct-1-en-3-yl]oxyoxane?
The canonical SMILES for 2-[(E)-1-[(1S)-2-(oxan-2-yloxy)cyclopentyl]oct-1-en-3-yl]oxyoxane is CCCCCC(/C=C/[C@@H]1CCCC1OC1CCCCO1)OC1CCCCO1.
What is the InChIKey of 2-[(E)-1-[(1S)-2-(oxan-2-yloxy)cyclopentyl]oct-1-en-3-yl]oxyoxane?
The InChIKey is QCJBNGNEDHEEDE-IQUMIREOSA-N. The full InChI is InChI=1S/C23H40O4/c1-2-3-4-11-20(26-22-13-5-7-17-24-22)16-15-19-10-9-12-21(19)27-23-14-6-8-18-25-23/h15-16,19-23H,2-14,17-18H2,1H3/b16-15+/t19-,20?,21?,22?,23?/m0/s1.
What are the key properties of 2-[(E)-1-[(1S)-2-(oxan-2-yloxy)cyclopentyl]oct-1-en-3-yl]oxyoxane?
2-[(E)-1-[(1S)-2-(oxan-2-yloxy)cyclopentyl]oct-1-en-3-yl]oxyoxane has a molecular weight of 380.57 g/mol, XLogP of 5.75, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-[(1S)-2-(oxan-2-yloxy)cyclopentyl]oct-1-en-3-yl]oxyoxane is sourced from PubChem (CID 167022137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).