[(1R,2R)-2-pent-4-enoyloxycyclohexyl] pent-4-enoate

C16H24O4 — CID 24959744

IUPAC[(1R,2R)-2-pent-4-enoyloxycyclohexyl] pent-4-enoate
SMILESC=CCCC(=O)O[C@@H]1CCCC[C@H]1OC(=O)CCC=C
InChIInChI=1S/C16H24O4/c1-3-5-11-15(17)19-13-9-7-8-10-14(13)20-16(18)12-6-4-2/h3-4,13-14H,1-2,5-12H2/t13-,14-/m1/s1
InChIKeyVUUIBTDSWXUEJH-ZIAGYGMSSA-N
MW280.36 g/mol
LogP3.32
Rot. Bonds8

About [(1R,2R)-2-pent-4-enoyloxycyclohexyl] pent-4-enoate

[(1R,2R)-2-pent-4-enoyloxycyclohexyl] pent-4-enoate (PubChem CID 24959744) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is [(1R,2R)-2-pent-4-enoyloxycyclohexyl] pent-4-enoate.

Molecular Properties

Compound Name[(1R,2R)-2-pent-4-enoyloxycyclohexyl] pent-4-enoate
PubChem CID24959744
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name[(1R,2R)-2-pent-4-enoyloxycyclohexyl] pent-4-enoate
SMILESC=CCCC(=O)O[C@@H]1CCCC[C@H]1OC(=O)CCC=C
InChIInChI=1S/C16H24O4/c1-3-5-11-15(17)19-13-9-7-8-10-14(13)20-16(18)12-6-4-2/h3-4,13-14H,1-2,5-12H2/t13-,14-/m1/s1
InChIKeyVUUIBTDSWXUEJH-ZIAGYGMSSA-N
XLogP3.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-pent-4-enoyloxycyclohexyl] pent-4-enoate?
The IUPAC name of [(1R,2R)-2-pent-4-enoyloxycyclohexyl] pent-4-enoate (CID 24959744) is [(1R,2R)-2-pent-4-enoyloxycyclohexyl] pent-4-enoate.
What is the SMILES notation for [(1R,2R)-2-pent-4-enoyloxycyclohexyl] pent-4-enoate?
The canonical SMILES for [(1R,2R)-2-pent-4-enoyloxycyclohexyl] pent-4-enoate is C=CCCC(=O)O[C@@H]1CCCC[C@H]1OC(=O)CCC=C.
What is the InChIKey of [(1R,2R)-2-pent-4-enoyloxycyclohexyl] pent-4-enoate?
The InChIKey is VUUIBTDSWXUEJH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H24O4/c1-3-5-11-15(17)19-13-9-7-8-10-14(13)20-16(18)12-6-4-2/h3-4,13-14H,1-2,5-12H2/t13-,14-/m1/s1.
What are the key properties of [(1R,2R)-2-pent-4-enoyloxycyclohexyl] pent-4-enoate?
[(1R,2R)-2-pent-4-enoyloxycyclohexyl] pent-4-enoate has a molecular weight of 280.36 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-pent-4-enoyloxycyclohexyl] pent-4-enoate is sourced from PubChem (CID 24959744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).