methyl (Z)-7-hydroxyhept-5-enoate

C8H14O3 — CID 15586879

IUPACmethyl (Z)-7-hydroxyhept-5-enoate
SMILESCOC(=O)CCC/C=C\CO
InChIInChI=1S/C8H14O3/c1-11-8(10)6-4-2-3-5-7-9/h3,5,9H,2,4,6-7H2,1H3/b5-3-
InChIKeyXPKQXJRFMMKWAZ-HYXAFXHYSA-N
MW158.20 g/mol
LogP0.88
Rot. Bonds5

About methyl (Z)-7-hydroxyhept-5-enoate

methyl (Z)-7-hydroxyhept-5-enoate (PubChem CID 15586879) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl (Z)-7-hydroxyhept-5-enoate.

Molecular Properties

Compound Namemethyl (Z)-7-hydroxyhept-5-enoate
PubChem CID15586879
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Namemethyl (Z)-7-hydroxyhept-5-enoate
SMILESCOC(=O)CCC/C=C\CO
InChIInChI=1S/C8H14O3/c1-11-8(10)6-4-2-3-5-7-9/h3,5,9H,2,4,6-7H2,1H3/b5-3-
InChIKeyXPKQXJRFMMKWAZ-HYXAFXHYSA-N
XLogP0.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.88
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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Related Compounds

methyl dec-5-enoate
CID 54534253
methyl undeca-5,9-dienoate
CID 57288687
dimethyl (E)-triacont-15-enedioate
CID 10767955
methyl (5Z,8Z,11Z)-15-hydroxypentadeca-5,8,11-trienoate
CID 122579422
methyl 7-chlorohept-5-enoate
CID 54573393
methyl (Z)-undec-5-enoate
CID 11469683
ethyl (Z)-7-hydroxyhept-5-enoate
CID 10797277
methyl dodec-5-enoate
CID 86010951
methyl (5E)-undeca-5,10-dienoate
CID 102118350
methyl (4E,9E,11E,13Z)-15-hydroxypentadeca-4,9,11,13-tetraenoate
CID 15484485
dimethyl (E)-non-3-enedioate
CID 14690983
methyl (5Z,8Z,11Z,14Z)-16-bromohexadeca-5,8,11,14-tetraenoate
CID 143217033

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-7-hydroxyhept-5-enoate?
The IUPAC name of methyl (Z)-7-hydroxyhept-5-enoate (CID 15586879) is methyl (Z)-7-hydroxyhept-5-enoate.
What is the SMILES notation for methyl (Z)-7-hydroxyhept-5-enoate?
The canonical SMILES for methyl (Z)-7-hydroxyhept-5-enoate is COC(=O)CCC/C=C\CO.
What is the InChIKey of methyl (Z)-7-hydroxyhept-5-enoate?
The InChIKey is XPKQXJRFMMKWAZ-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H14O3/c1-11-8(10)6-4-2-3-5-7-9/h3,5,9H,2,4,6-7H2,1H3/b5-3-.
What are the key properties of methyl (Z)-7-hydroxyhept-5-enoate?
methyl (Z)-7-hydroxyhept-5-enoate has a molecular weight of 158.20 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-7-hydroxyhept-5-enoate is sourced from PubChem (CID 15586879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).