acetic acid;(8Z)-tetradeca-1,8-diene

C16H30O2 — CID 175396356

IUPACacetic acid;(8Z)-tetradeca-1,8-diene
SMILESC=CCCCCC/C=C\CCCCC.CC(=O)O
InChIInChI=1S/C14H26.C2H4O2/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-2(3)4/h3,12,14H,1,4-11,13H2,2H3;1H3,(H,3,4)/b14-12-;
InChIKeyQOXASUNQVVSPHE-CTMPBGLUSA-N
MW254.41 g/mol
LogP5.35
Rot. Bonds10

About acetic acid;(8Z)-tetradeca-1,8-diene

acetic acid;(8Z)-tetradeca-1,8-diene (PubChem CID 175396356) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is acetic acid;(8Z)-tetradeca-1,8-diene.

Molecular Properties

Compound Nameacetic acid;(8Z)-tetradeca-1,8-diene
PubChem CID175396356
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Nameacetic acid;(8Z)-tetradeca-1,8-diene
SMILESC=CCCCCC/C=C\CCCCC.CC(=O)O
InChIInChI=1S/C14H26.C2H4O2/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-2(3)4/h3,12,14H,1,4-11,13H2,2H3;1H3,(H,3,4)/b14-12-;
InChIKeyQOXASUNQVVSPHE-CTMPBGLUSA-N
XLogP5.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.41
LogP ≤ 55.35
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;(5Z)-dodeca-1,5-diene
CID 174529937
acetic acid;oct-1-ene
CID 159976970
acetic acid;octadec-1-ene;zinc
CID 175392389
acetic acid;(E)-tetradec-7-ene
CID 174697247
(7E)-heptadeca-1,7-diene
CID 19050683
triaconta-1,19-diene
CID 54007897
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
heptadeca-1,7-diene
CID 57204265
hexadeca-1,10-diene
CID 56606054

Frequently Asked Questions

What is the IUPAC name of acetic acid;(8Z)-tetradeca-1,8-diene?
The IUPAC name of acetic acid;(8Z)-tetradeca-1,8-diene (CID 175396356) is acetic acid;(8Z)-tetradeca-1,8-diene.
What is the SMILES notation for acetic acid;(8Z)-tetradeca-1,8-diene?
The canonical SMILES for acetic acid;(8Z)-tetradeca-1,8-diene is C=CCCCCC/C=C\CCCCC.CC(=O)O.
What is the InChIKey of acetic acid;(8Z)-tetradeca-1,8-diene?
The InChIKey is QOXASUNQVVSPHE-CTMPBGLUSA-N. The full InChI is InChI=1S/C14H26.C2H4O2/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-2(3)4/h3,12,14H,1,4-11,13H2,2H3;1H3,(H,3,4)/b14-12-;.
What are the key properties of acetic acid;(8Z)-tetradeca-1,8-diene?
acetic acid;(8Z)-tetradeca-1,8-diene has a molecular weight of 254.41 g/mol, XLogP of 5.35, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(8Z)-tetradeca-1,8-diene is sourced from PubChem (CID 175396356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).