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

C9H16O3 — CID 10797277

IUPACethyl (Z)-7-hydroxyhept-5-enoate
SMILESCCOC(=O)CCC/C=C\CO
InChIInChI=1S/C9H16O3/c1-2-12-9(11)7-5-3-4-6-8-10/h4,6,10H,2-3,5,7-8H2,1H3/b6-4-
InChIKeySOMJEGUXTUWDMD-XQRVVYSFSA-N
MW172.22 g/mol
LogP1.27
Rot. Bonds6

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

ethyl (Z)-7-hydroxyhept-5-enoate (PubChem CID 10797277) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is ethyl (Z)-7-hydroxyhept-5-enoate.

Molecular Properties

Compound Nameethyl (Z)-7-hydroxyhept-5-enoate
PubChem CID10797277
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Nameethyl (Z)-7-hydroxyhept-5-enoate
SMILESCCOC(=O)CCC/C=C\CO
InChIInChI=1S/C9H16O3/c1-2-12-9(11)7-5-3-4-6-8-10/h4,6,10H,2-3,5,7-8H2,1H3/b6-4-
InChIKeySOMJEGUXTUWDMD-XQRVVYSFSA-N
XLogP1.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.27
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

ethyl (5Z,8Z,11E,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
CID 169439998
ethyl (5Z,8E,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
CID 172866485
methyl (Z)-7-hydroxyhept-5-enoate
CID 15586879
ethyl (Z)-icos-9-enoate
CID 72941815
ethyl (5Z,7E)-dodeca-5,7-dienoate
CID 14633807
ethyl octadec-8-enoate
CID 71350628
ethyl octadeca-5,10,12-trienoate
CID 71346061
CID 175771564
CID 175771564
ethyl (E)-10-hydroxydec-4-enoate
CID 11344916
ethyl (6Z,12Z,15Z)-octadeca-6,12,15-trienoate
CID 142071444
ethyl (6E,9Z,12E)-octadeca-6,9,12-trienoate
CID 124933434
ethyl (5Z)-7-methylocta-5,7-dienoate
CID 10860227

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-7-hydroxyhept-5-enoate?
The IUPAC name of ethyl (Z)-7-hydroxyhept-5-enoate (CID 10797277) is ethyl (Z)-7-hydroxyhept-5-enoate.
What is the SMILES notation for ethyl (Z)-7-hydroxyhept-5-enoate?
The canonical SMILES for ethyl (Z)-7-hydroxyhept-5-enoate is CCOC(=O)CCC/C=C\CO.
What is the InChIKey of ethyl (Z)-7-hydroxyhept-5-enoate?
The InChIKey is SOMJEGUXTUWDMD-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H16O3/c1-2-12-9(11)7-5-3-4-6-8-10/h4,6,10H,2-3,5,7-8H2,1H3/b6-4-.
What are the key properties of ethyl (Z)-7-hydroxyhept-5-enoate?
ethyl (Z)-7-hydroxyhept-5-enoate has a molecular weight of 172.22 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-7-hydroxyhept-5-enoate is sourced from PubChem (CID 10797277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).