hexadeca-4,6,10,12-tetraynoic acid

C16H16O2 — CID 168864619

IUPAChexadeca-4,6,10,12-tetraynoic acid
SMILESCCCC#CC#CCCC#CC#CCCC(=O)O
InChIInChI=1S/C16H16O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-3,8-9,14-15H2,1H3,(H,17,18)
InChIKeyGEDAXTHFIUGHTB-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.45
Rot. Bonds4

About hexadeca-4,6,10,12-tetraynoic acid

hexadeca-4,6,10,12-tetraynoic acid (PubChem CID 168864619) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is hexadeca-4,6,10,12-tetraynoic acid.

Molecular Properties

Compound Namehexadeca-4,6,10,12-tetraynoic acid
PubChem CID168864619
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Namehexadeca-4,6,10,12-tetraynoic acid
SMILESCCCC#CC#CCCC#CC#CCCC(=O)O
InChIInChI=1S/C16H16O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-3,8-9,14-15H2,1H3,(H,17,18)
InChIKeyGEDAXTHFIUGHTB-UHFFFAOYSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

docosa-4,6-diynoic acid
CID 155657987
2-nona-3,5-diynylpropanedioic acid
CID 139974254
octadeca-8,10-diynoic acid
CID 5312666
hexacosa-11,13-diynoic acid
CID 71349846
pentacosa-6,8-diynoic acid
CID 101012403
hentriaconta-12,14-diynoic acid
CID 134916943
heptadeca-6,8-diynoic acid
CID 86161368
nonadeca-10,12-diynoic acid
CID 89160943
tridec-9-ynoic acid
CID 5312723
octadeca-4,8-diynoic acid
CID 5312650
acetylene;pentacosa-10,12-diynoic acid
CID 157131898
non-5-yn-2-one
CID 14901661

Frequently Asked Questions

What is the IUPAC name of hexadeca-4,6,10,12-tetraynoic acid?
The IUPAC name of hexadeca-4,6,10,12-tetraynoic acid (CID 168864619) is hexadeca-4,6,10,12-tetraynoic acid.
What is the SMILES notation for hexadeca-4,6,10,12-tetraynoic acid?
The canonical SMILES for hexadeca-4,6,10,12-tetraynoic acid is CCCC#CC#CCCC#CC#CCCC(=O)O.
What is the InChIKey of hexadeca-4,6,10,12-tetraynoic acid?
The InChIKey is GEDAXTHFIUGHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-3,8-9,14-15H2,1H3,(H,17,18).
What are the key properties of hexadeca-4,6,10,12-tetraynoic acid?
hexadeca-4,6,10,12-tetraynoic acid has a molecular weight of 240.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexadeca-4,6,10,12-tetraynoic acid is sourced from PubChem (CID 168864619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).