[(2S,5S)-5-(methoxymethoxy)hept-6-en-2-yl] (E,5S)-5-hydroxy-4-oxohex-2-enoate

C15H24O6 — CID 134842947

IUPAC[(2S,5S)-5-(methoxymethoxy)hept-6-en-2-yl] (E,5S)-5-hydroxy-4-oxohex-2-enoate
SMILESC=C[C@H](CC[C@H](C)OC(=O)/C=C/C(=O)[C@H](C)O)OCOC
InChIInChI=1S/C15H24O6/c1-5-13(20-10-19-4)7-6-11(2)21-15(18)9-8-14(17)12(3)16/h5,8-9,11-13,16H,1,6-7,10H2,2-4H3/b9-8+/t11-,12-,13+/m0/s1
InChIKeyFYSRRDGCJPDOJY-HFCZWNMXSA-N
MW300.35 g/mol
LogP1.38
Rot. Bonds11

About [(2S,5S)-5-(methoxymethoxy)hept-6-en-2-yl] (E,5S)-5-hydroxy-4-oxohex-2-enoate

[(2S,5S)-5-(methoxymethoxy)hept-6-en-2-yl] (E,5S)-5-hydroxy-4-oxohex-2-enoate (PubChem CID 134842947) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is [(2S,5S)-5-(methoxymethoxy)hept-6-en-2-yl] (E,5S)-5-hydroxy-4-oxohex-2-enoate.

Molecular Properties

Compound Name[(2S,5S)-5-(methoxymethoxy)hept-6-en-2-yl] (E,5S)-5-hydroxy-4-oxohex-2-enoate
PubChem CID134842947
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name[(2S,5S)-5-(methoxymethoxy)hept-6-en-2-yl] (E,5S)-5-hydroxy-4-oxohex-2-enoate
SMILESC=C[C@H](CC[C@H](C)OC(=O)/C=C/C(=O)[C@H](C)O)OCOC
InChIInChI=1S/C15H24O6/c1-5-13(20-10-19-4)7-6-11(2)21-15(18)9-8-14(17)12(3)16/h5,8-9,11-13,16H,1,6-7,10H2,2-4H3/b9-8+/t11-,12-,13+/m0/s1
InChIKeyFYSRRDGCJPDOJY-HFCZWNMXSA-N
XLogP1.38
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-5-(methoxymethoxy)hept-6-en-2-yl] (E,5S)-5-hydroxy-4-oxohex-2-enoate?
The IUPAC name of [(2S,5S)-5-(methoxymethoxy)hept-6-en-2-yl] (E,5S)-5-hydroxy-4-oxohex-2-enoate (CID 134842947) is [(2S,5S)-5-(methoxymethoxy)hept-6-en-2-yl] (E,5S)-5-hydroxy-4-oxohex-2-enoate.
What is the SMILES notation for [(2S,5S)-5-(methoxymethoxy)hept-6-en-2-yl] (E,5S)-5-hydroxy-4-oxohex-2-enoate?
The canonical SMILES for [(2S,5S)-5-(methoxymethoxy)hept-6-en-2-yl] (E,5S)-5-hydroxy-4-oxohex-2-enoate is C=C[C@H](CC[C@H](C)OC(=O)/C=C/C(=O)[C@H](C)O)OCOC.
What is the InChIKey of [(2S,5S)-5-(methoxymethoxy)hept-6-en-2-yl] (E,5S)-5-hydroxy-4-oxohex-2-enoate?
The InChIKey is FYSRRDGCJPDOJY-HFCZWNMXSA-N. The full InChI is InChI=1S/C15H24O6/c1-5-13(20-10-19-4)7-6-11(2)21-15(18)9-8-14(17)12(3)16/h5,8-9,11-13,16H,1,6-7,10H2,2-4H3/b9-8+/t11-,12-,13+/m0/s1.
What are the key properties of [(2S,5S)-5-(methoxymethoxy)hept-6-en-2-yl] (E,5S)-5-hydroxy-4-oxohex-2-enoate?
[(2S,5S)-5-(methoxymethoxy)hept-6-en-2-yl] (E,5S)-5-hydroxy-4-oxohex-2-enoate has a molecular weight of 300.35 g/mol, XLogP of 1.38, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-5-(methoxymethoxy)hept-6-en-2-yl] (E,5S)-5-hydroxy-4-oxohex-2-enoate is sourced from PubChem (CID 134842947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).