ethyl (5Z)-7-methylocta-5,7-dienoate

C11H18O2 — CID 10860227

IUPACethyl (5Z)-7-methylocta-5,7-dienoate
SMILESC=C(C)/C=C\CCCC(=O)OCC
InChIInChI=1S/C11H18O2/c1-4-13-11(12)9-7-5-6-8-10(2)3/h6,8H,2,4-5,7,9H2,1,3H3/b8-6-
InChIKeyKHNVTFOYOYNOAS-VURMDHGXSA-N
MW182.26 g/mol
LogP2.85
Rot. Bonds6

About ethyl (5Z)-7-methylocta-5,7-dienoate

ethyl (5Z)-7-methylocta-5,7-dienoate (PubChem CID 10860227) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is ethyl (5Z)-7-methylocta-5,7-dienoate.

Molecular Properties

Compound Nameethyl (5Z)-7-methylocta-5,7-dienoate
PubChem CID10860227
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameethyl (5Z)-7-methylocta-5,7-dienoate
SMILESC=C(C)/C=C\CCCC(=O)OCC
InChIInChI=1S/C11H18O2/c1-4-13-11(12)9-7-5-6-8-10(2)3/h6,8H,2,4-5,7,9H2,1,3H3/b8-6-
InChIKeyKHNVTFOYOYNOAS-VURMDHGXSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-methylhexa-3,5-dienoate
CID 54020800
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
ethyl (Z)-7-hydroxyhept-5-enoate
CID 10797277
ethyl (5Z,7E)-dodeca-5,7-dienoate
CID 14633807
ethyl hept-6-enoate
CID 560341
ethyl (6Z,12Z,15Z)-octadeca-6,12,15-trienoate
CID 142071444
ethyl (6Z)-nona-6,8-dienoate
CID 11001790
1-O-ethyl 7-O-methyl (E)-hept-2-enedioate
CID 140620855
diethyl hexanedioate
CID 160747628
1-O-ethyl 5-O-pent-4-enyl pentanedioate
CID 91718034
ethyl (E)-11-iodoundec-10-enoate
CID 100951018

Frequently Asked Questions

What is the IUPAC name of ethyl (5Z)-7-methylocta-5,7-dienoate?
The IUPAC name of ethyl (5Z)-7-methylocta-5,7-dienoate (CID 10860227) is ethyl (5Z)-7-methylocta-5,7-dienoate.
What is the SMILES notation for ethyl (5Z)-7-methylocta-5,7-dienoate?
The canonical SMILES for ethyl (5Z)-7-methylocta-5,7-dienoate is C=C(C)/C=C\CCCC(=O)OCC.
What is the InChIKey of ethyl (5Z)-7-methylocta-5,7-dienoate?
The InChIKey is KHNVTFOYOYNOAS-VURMDHGXSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-13-11(12)9-7-5-6-8-10(2)3/h6,8H,2,4-5,7,9H2,1,3H3/b8-6-.
What are the key properties of ethyl (5Z)-7-methylocta-5,7-dienoate?
ethyl (5Z)-7-methylocta-5,7-dienoate has a molecular weight of 182.26 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5Z)-7-methylocta-5,7-dienoate is sourced from PubChem (CID 10860227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).