ethyl (Z)-5-methylhept-4-enoate

C10H18O2 — CID 11116490

IUPACethyl (Z)-5-methylhept-4-enoate
SMILESCCOC(=O)CC/C=C(/C)CC
InChIInChI=1S/C10H18O2/c1-4-9(3)7-6-8-10(11)12-5-2/h7H,4-6,8H2,1-3H3/b9-7-
InChIKeyXMVRBBIGWOPXLO-CLFYSBASSA-N
MW170.25 g/mol
LogP2.69
Rot. Bonds5

About ethyl (Z)-5-methylhept-4-enoate

ethyl (Z)-5-methylhept-4-enoate (PubChem CID 11116490) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is ethyl (Z)-5-methylhept-4-enoate.

Molecular Properties

Compound Nameethyl (Z)-5-methylhept-4-enoate
PubChem CID11116490
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Nameethyl (Z)-5-methylhept-4-enoate
SMILESCCOC(=O)CC/C=C(/C)CC
InChIInChI=1S/C10H18O2/c1-4-9(3)7-6-8-10(11)12-5-2/h7H,4-6,8H2,1-3H3/b9-7-
InChIKeyXMVRBBIGWOPXLO-CLFYSBASSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (4Z,8Z,12Z,16Z,20Z,24Z,28Z,32Z,36Z,40Z,44Z,48E,52E)-5,9,13,17,21,25,29,33,37,41,45,49,53,57-tetradecamethyloctapentaconta-4,8,12,16,20,24,28,32,36,40,44,48,52,56-tetradecaenoate
CID 11491628
ethyl (2E,6Z)-3,7-dimethylnona-2,6-dienoate
CID 2297686
oxiran-2-ylmethyl 5-methylhept-4-enoate
CID 54277576
ethyl (6E,10E)-7,11,15-trimethyl-3-oxohexadeca-6,10,14-trienoate
CID 10969697
ethyl 7,11-dimethyl-3-oxododeca-6,10-dienoate
CID 54120364
ethyl (6Z)-7,11-dimethyl-3-oxododeca-6,10-dienoate
CID 11086708
(E)-7-methylnon-6-en-3-one
CID 22749805
(5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one
CID 5363460
(E)-5-methylhept-4-enoic acid
CID 83694352
[(2E,6Z,10E,14Z,18Z,22E,26E,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] (4Z)-5,9-dimethyldeca-4,8-dienoate
CID 24837329
ethyl (4E)-6-(dimethylamino)-5-methylhepta-4,6-dienoate
CID 12892823
alumane;[(2E)-3,7-dimethylocta-2,6-dienyl] (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoate
CID 173458280

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-5-methylhept-4-enoate?
The IUPAC name of ethyl (Z)-5-methylhept-4-enoate (CID 11116490) is ethyl (Z)-5-methylhept-4-enoate.
What is the SMILES notation for ethyl (Z)-5-methylhept-4-enoate?
The canonical SMILES for ethyl (Z)-5-methylhept-4-enoate is CCOC(=O)CC/C=C(/C)CC.
What is the InChIKey of ethyl (Z)-5-methylhept-4-enoate?
The InChIKey is XMVRBBIGWOPXLO-CLFYSBASSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-9(3)7-6-8-10(11)12-5-2/h7H,4-6,8H2,1-3H3/b9-7-.
What are the key properties of ethyl (Z)-5-methylhept-4-enoate?
ethyl (Z)-5-methylhept-4-enoate has a molecular weight of 170.25 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-5-methylhept-4-enoate is sourced from PubChem (CID 11116490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).