[(4R,6R)-6-hydroxyoct-7-en-4-yl] hex-5-enoate

C14H24O3 — CID 11184060

IUPAC[(4R,6R)-6-hydroxyoct-7-en-4-yl] hex-5-enoate
SMILESC=CCCCC(=O)O[C@H](CCC)C[C@@H](O)C=C
InChIInChI=1S/C14H24O3/c1-4-7-8-10-14(16)17-13(9-5-2)11-12(15)6-3/h4,6,12-13,15H,1,3,5,7-11H2,2H3/t12-,13+/m0/s1
InChIKeyUXEJVKSRWLUCOO-QWHCGFSZSA-N
MW240.34 g/mol
LogP2.99
Rot. Bonds10

About [(4R,6R)-6-hydroxyoct-7-en-4-yl] hex-5-enoate

[(4R,6R)-6-hydroxyoct-7-en-4-yl] hex-5-enoate (PubChem CID 11184060) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is [(4R,6R)-6-hydroxyoct-7-en-4-yl] hex-5-enoate.

Molecular Properties

Compound Name[(4R,6R)-6-hydroxyoct-7-en-4-yl] hex-5-enoate
PubChem CID11184060
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name[(4R,6R)-6-hydroxyoct-7-en-4-yl] hex-5-enoate
SMILESC=CCCCC(=O)O[C@H](CCC)C[C@@H](O)C=C
InChIInChI=1S/C14H24O3/c1-4-7-8-10-14(16)17-13(9-5-2)11-12(15)6-3/h4,6,12-13,15H,1,3,5,7-11H2,2H3/t12-,13+/m0/s1
InChIKeyUXEJVKSRWLUCOO-QWHCGFSZSA-N
XLogP2.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [(4R,6R)-6-hydroxyoct-7-en-4-yl] hex-5-enoate?
The IUPAC name of [(4R,6R)-6-hydroxyoct-7-en-4-yl] hex-5-enoate (CID 11184060) is [(4R,6R)-6-hydroxyoct-7-en-4-yl] hex-5-enoate.
What is the SMILES notation for [(4R,6R)-6-hydroxyoct-7-en-4-yl] hex-5-enoate?
The canonical SMILES for [(4R,6R)-6-hydroxyoct-7-en-4-yl] hex-5-enoate is C=CCCCC(=O)O[C@H](CCC)C[C@@H](O)C=C.
What is the InChIKey of [(4R,6R)-6-hydroxyoct-7-en-4-yl] hex-5-enoate?
The InChIKey is UXEJVKSRWLUCOO-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H24O3/c1-4-7-8-10-14(16)17-13(9-5-2)11-12(15)6-3/h4,6,12-13,15H,1,3,5,7-11H2,2H3/t12-,13+/m0/s1.
What are the key properties of [(4R,6R)-6-hydroxyoct-7-en-4-yl] hex-5-enoate?
[(4R,6R)-6-hydroxyoct-7-en-4-yl] hex-5-enoate has a molecular weight of 240.34 g/mol, XLogP of 2.99, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6R)-6-hydroxyoct-7-en-4-yl] hex-5-enoate is sourced from PubChem (CID 11184060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).