methyl (E)-5-hydroxy-7-iodohept-6-enoate

C8H13IO3 — CID 10859016

IUPACmethyl (E)-5-hydroxy-7-iodohept-6-enoate
SMILESCOC(=O)CCCC(O)/C=C/I
InChIInChI=1S/C8H13IO3/c1-12-8(11)4-2-3-7(10)5-6-9/h5-7,10H,2-4H2,1H3/b6-5+
InChIKeyYVXVQHFDEBKQHI-AATRIKPKSA-N
MW284.09 g/mol
LogP1.64
Rot. Bonds5

About methyl (E)-5-hydroxy-7-iodohept-6-enoate

methyl (E)-5-hydroxy-7-iodohept-6-enoate (PubChem CID 10859016) has the molecular formula C8H13IO3 and a molecular weight of 284.09 g/mol. Its IUPAC name is methyl (E)-5-hydroxy-7-iodohept-6-enoate.

Molecular Properties

Compound Namemethyl (E)-5-hydroxy-7-iodohept-6-enoate
PubChem CID10859016
Molecular FormulaC8H13IO3
Molecular Weight284.09 g/mol
Exact Mass283.99
IUPAC Namemethyl (E)-5-hydroxy-7-iodohept-6-enoate
SMILESCOC(=O)CCCC(O)/C=C/I
InChIInChI=1S/C8H13IO3/c1-12-8(11)4-2-3-7(10)5-6-9/h5-7,10H,2-4H2,1H3/b6-5+
InChIKeyYVXVQHFDEBKQHI-AATRIKPKSA-N
XLogP1.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.09
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (3R,5S)-3,5-dihydroxyhept-6-enoate
CID 11344279
Methyl 5-hydroxy-3-oxohept-6-enoate
CID 14089572
Ethyl 5-hydroxyhept-6-enoate
CID 73317003
methyl (3R,5R)-3,5-dihydroxyhept-6-enoate
CID 139257722
methyl (Z)-5,8-dihydroxyoct-6-enoate
CID 11008664
methyl (E)-7-chloro-5-hydroxyhept-6-enoate
CID 12088248
methyl (5R)-5-hydroxy-3-oxohept-6-enoate
CID 56965042
methyl (E,5R)-5-hydroxy-7-trimethylsilylhept-6-enoate
CID 134904305
methyl (3R)-3,5-dihydroxyhept-6-enoate
CID 139257723
Ethyl 5-hydroxy-4-methylidenehexanoate
CID 162403772
Ethyl (3R,5S)-3,5-dihydroxyhept-6-enoate
CID 9964298
5-Hydroxy-3-oxo-6-heptenoic acid-ethyl ester
CID 10058248

Frequently Asked Questions

What is the IUPAC name of methyl (E)-5-hydroxy-7-iodohept-6-enoate?
The IUPAC name of methyl (E)-5-hydroxy-7-iodohept-6-enoate (CID 10859016) is methyl (E)-5-hydroxy-7-iodohept-6-enoate.
What is the SMILES notation for methyl (E)-5-hydroxy-7-iodohept-6-enoate?
The canonical SMILES for methyl (E)-5-hydroxy-7-iodohept-6-enoate is COC(=O)CCCC(O)/C=C/I.
What is the InChIKey of methyl (E)-5-hydroxy-7-iodohept-6-enoate?
The InChIKey is YVXVQHFDEBKQHI-AATRIKPKSA-N. The full InChI is InChI=1S/C8H13IO3/c1-12-8(11)4-2-3-7(10)5-6-9/h5-7,10H,2-4H2,1H3/b6-5+.
What are the key properties of methyl (E)-5-hydroxy-7-iodohept-6-enoate?
methyl (E)-5-hydroxy-7-iodohept-6-enoate has a molecular weight of 284.09 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-5-hydroxy-7-iodohept-6-enoate is sourced from PubChem (CID 10859016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).