acetic acid;(5Z)-dodeca-1,5-diene

C14H26O2 — CID 174529937

IUPACacetic acid;(5Z)-dodeca-1,5-diene
SMILESC=CCC/C=C\CCCCCC.CC(=O)O
InChIInChI=1S/C12H22.C2H4O2/c1-3-5-7-9-11-12-10-8-6-4-2;1-2(3)4/h3,9,11H,1,4-8,10,12H2,2H3;1H3,(H,3,4)/b11-9-;
InChIKeyMRXUPGLWWVLSMA-KSIDEHCFSA-N
MW226.36 g/mol
LogP4.57
Rot. Bonds8

About acetic acid;(5Z)-dodeca-1,5-diene

acetic acid;(5Z)-dodeca-1,5-diene (PubChem CID 174529937) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is acetic acid;(5Z)-dodeca-1,5-diene.

Molecular Properties

Compound Nameacetic acid;(5Z)-dodeca-1,5-diene
PubChem CID174529937
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Nameacetic acid;(5Z)-dodeca-1,5-diene
SMILESC=CCC/C=C\CCCCCC.CC(=O)O
InChIInChI=1S/C12H22.C2H4O2/c1-3-5-7-9-11-12-10-8-6-4-2;1-2(3)4/h3,9,11H,1,4-8,10,12H2,2H3;1H3,(H,3,4)/b11-9-;
InChIKeyMRXUPGLWWVLSMA-KSIDEHCFSA-N
XLogP4.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

acetic acid;(8Z)-tetradeca-1,8-diene
CID 175396356
acetic acid;oct-1-ene
CID 159976970
acetic acid;(E)-tetradec-7-ene
CID 174697247
acetic acid;octadec-1-ene;zinc
CID 175392389
pentadeca-1,5,9-triene
CID 174048710
acetic acid;(Z)-dec-3-ene
CID 174912778
pentacosa-1,9,15-triene
CID 90876289
tetradeca-1,8-diene
CID 90913546
pentaconta-1,25-diene
CID 90941740
pentacosa-1,16-diene
CID 57082437
triaconta-1,19-diene
CID 54007897
(7E)-heptadeca-1,7-diene
CID 19050683

Frequently Asked Questions

What is the IUPAC name of acetic acid;(5Z)-dodeca-1,5-diene?
The IUPAC name of acetic acid;(5Z)-dodeca-1,5-diene (CID 174529937) is acetic acid;(5Z)-dodeca-1,5-diene.
What is the SMILES notation for acetic acid;(5Z)-dodeca-1,5-diene?
The canonical SMILES for acetic acid;(5Z)-dodeca-1,5-diene is C=CCC/C=C\CCCCCC.CC(=O)O.
What is the InChIKey of acetic acid;(5Z)-dodeca-1,5-diene?
The InChIKey is MRXUPGLWWVLSMA-KSIDEHCFSA-N. The full InChI is InChI=1S/C12H22.C2H4O2/c1-3-5-7-9-11-12-10-8-6-4-2;1-2(3)4/h3,9,11H,1,4-8,10,12H2,2H3;1H3,(H,3,4)/b11-9-;.
What are the key properties of acetic acid;(5Z)-dodeca-1,5-diene?
acetic acid;(5Z)-dodeca-1,5-diene has a molecular weight of 226.36 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(5Z)-dodeca-1,5-diene is sourced from PubChem (CID 174529937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).