[(2R,4S)-4-methoxy-6-oxonon-8-en-2-yl] (3S)-3-hydroxypent-4-enoate

C15H24O5 — CID 154711796

IUPAC[(2R,4S)-4-methoxy-6-oxonon-8-en-2-yl] (3S)-3-hydroxypent-4-enoate
SMILESC=CCC(=O)C[C@H](C[C@@H](C)OC(=O)C[C@H](O)C=C)OC
InChIInChI=1S/C15H24O5/c1-5-7-13(17)9-14(19-4)8-11(3)20-15(18)10-12(16)6-2/h5-6,11-12,14,16H,1-2,7-10H2,3-4H3/t11-,12-,14+/m1/s1
InChIKeyAZAUNIZHZHOYPE-BZPMIXESSA-N
MW284.35 g/mol
LogP1.80
Rot. Bonds11

About [(2R,4S)-4-methoxy-6-oxonon-8-en-2-yl] (3S)-3-hydroxypent-4-enoate

[(2R,4S)-4-methoxy-6-oxonon-8-en-2-yl] (3S)-3-hydroxypent-4-enoate (PubChem CID 154711796) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is [(2R,4S)-4-methoxy-6-oxonon-8-en-2-yl] (3S)-3-hydroxypent-4-enoate.

Molecular Properties

Compound Name[(2R,4S)-4-methoxy-6-oxonon-8-en-2-yl] (3S)-3-hydroxypent-4-enoate
PubChem CID154711796
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name[(2R,4S)-4-methoxy-6-oxonon-8-en-2-yl] (3S)-3-hydroxypent-4-enoate
SMILESC=CCC(=O)C[C@H](C[C@@H](C)OC(=O)C[C@H](O)C=C)OC
InChIInChI=1S/C15H24O5/c1-5-7-13(17)9-14(19-4)8-11(3)20-15(18)10-12(16)6-2/h5-6,11-12,14,16H,1-2,7-10H2,3-4H3/t11-,12-,14+/m1/s1
InChIKeyAZAUNIZHZHOYPE-BZPMIXESSA-N
XLogP1.80
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-5-oxohept-6-en-2-yl] (3S)-3-hydroxypent-4-enoate
CID 102443004
[(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl] 3-hydroxyhex-5-enoate
CID 44556691
pent-4-en-2-yl 3-chlorobutanoate
CID 527686
butan-2-yl pent-4-enoate
CID 58193499
[(2S,4S)-4-hydroxy-3-methylidenepentan-2-yl] but-3-enoate
CID 23726587
(3R)-3-hydroxy-N-methoxy-N-methylpent-4-enamide
CID 25259472
(3S)-3-hydroxypent-4-enoic acid
CID 12740485
bis(4-methylpentan-2-yl) pentanedioate
CID 87115694
methyl (6R)-6-methyl-3-oxooct-7-enoate
CID 134731255
7-(propan-2-ylamino)hept-1-en-4-one
CID 116558076
(2R,6R)-2-hydroxy-6-methoxyoctan-4-one
CID 101412951
[(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate
CID 171578964

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-methoxy-6-oxonon-8-en-2-yl] (3S)-3-hydroxypent-4-enoate?
The IUPAC name of [(2R,4S)-4-methoxy-6-oxonon-8-en-2-yl] (3S)-3-hydroxypent-4-enoate (CID 154711796) is [(2R,4S)-4-methoxy-6-oxonon-8-en-2-yl] (3S)-3-hydroxypent-4-enoate.
What is the SMILES notation for [(2R,4S)-4-methoxy-6-oxonon-8-en-2-yl] (3S)-3-hydroxypent-4-enoate?
The canonical SMILES for [(2R,4S)-4-methoxy-6-oxonon-8-en-2-yl] (3S)-3-hydroxypent-4-enoate is C=CCC(=O)C[C@H](C[C@@H](C)OC(=O)C[C@H](O)C=C)OC.
What is the InChIKey of [(2R,4S)-4-methoxy-6-oxonon-8-en-2-yl] (3S)-3-hydroxypent-4-enoate?
The InChIKey is AZAUNIZHZHOYPE-BZPMIXESSA-N. The full InChI is InChI=1S/C15H24O5/c1-5-7-13(17)9-14(19-4)8-11(3)20-15(18)10-12(16)6-2/h5-6,11-12,14,16H,1-2,7-10H2,3-4H3/t11-,12-,14+/m1/s1.
What are the key properties of [(2R,4S)-4-methoxy-6-oxonon-8-en-2-yl] (3S)-3-hydroxypent-4-enoate?
[(2R,4S)-4-methoxy-6-oxonon-8-en-2-yl] (3S)-3-hydroxypent-4-enoate has a molecular weight of 284.35 g/mol, XLogP of 1.80, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-methoxy-6-oxonon-8-en-2-yl] (3S)-3-hydroxypent-4-enoate is sourced from PubChem (CID 154711796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).