[(1R,2S)-2-hex-5-enoyloxycyclopentyl] hex-5-enoate

C17H26O4 — CID 10880935

IUPAC[(1R,2S)-2-hex-5-enoyloxycyclopentyl] hex-5-enoate
SMILESC=CCCCC(=O)O[C@H]1CCC[C@H]1OC(=O)CCCC=C
InChIInChI=1S/C17H26O4/c1-3-5-7-12-16(18)20-14-10-9-11-15(14)21-17(19)13-8-6-4-2/h3-4,14-15H,1-2,5-13H2/t14-,15+
InChIKeyUQVGTEGRULDPHG-GASCZTMLSA-N
MW294.39 g/mol
LogP3.71
Rot. Bonds10

About [(1R,2S)-2-hex-5-enoyloxycyclopentyl] hex-5-enoate

[(1R,2S)-2-hex-5-enoyloxycyclopentyl] hex-5-enoate (PubChem CID 10880935) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is [(1R,2S)-2-hex-5-enoyloxycyclopentyl] hex-5-enoate.

Molecular Properties

Compound Name[(1R,2S)-2-hex-5-enoyloxycyclopentyl] hex-5-enoate
PubChem CID10880935
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name[(1R,2S)-2-hex-5-enoyloxycyclopentyl] hex-5-enoate
SMILESC=CCCCC(=O)O[C@H]1CCC[C@H]1OC(=O)CCCC=C
InChIInChI=1S/C17H26O4/c1-3-5-7-12-16(18)20-14-10-9-11-15(14)21-17(19)13-8-6-4-2/h3-4,14-15H,1-2,5-13H2/t14-,15+
InChIKeyUQVGTEGRULDPHG-GASCZTMLSA-N
XLogP3.71
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.71
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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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-hex-5-enoyloxycyclopentyl] hex-5-enoate?
The IUPAC name of [(1R,2S)-2-hex-5-enoyloxycyclopentyl] hex-5-enoate (CID 10880935) is [(1R,2S)-2-hex-5-enoyloxycyclopentyl] hex-5-enoate.
What is the SMILES notation for [(1R,2S)-2-hex-5-enoyloxycyclopentyl] hex-5-enoate?
The canonical SMILES for [(1R,2S)-2-hex-5-enoyloxycyclopentyl] hex-5-enoate is C=CCCCC(=O)O[C@H]1CCC[C@H]1OC(=O)CCCC=C.
What is the InChIKey of [(1R,2S)-2-hex-5-enoyloxycyclopentyl] hex-5-enoate?
The InChIKey is UQVGTEGRULDPHG-GASCZTMLSA-N. The full InChI is InChI=1S/C17H26O4/c1-3-5-7-12-16(18)20-14-10-9-11-15(14)21-17(19)13-8-6-4-2/h3-4,14-15H,1-2,5-13H2/t14-,15+.
What are the key properties of [(1R,2S)-2-hex-5-enoyloxycyclopentyl] hex-5-enoate?
[(1R,2S)-2-hex-5-enoyloxycyclopentyl] hex-5-enoate has a molecular weight of 294.39 g/mol, XLogP of 3.71, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-hex-5-enoyloxycyclopentyl] hex-5-enoate is sourced from PubChem (CID 10880935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).