acetylene;tetrakis(prop-2-enoic acid)

C14H18O8 — CID 159667354

IUPACacetylene;tetrakis(prop-2-enoic acid)
SMILESC#C.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O
InChIInChI=1S/4C3H4O2.C2H2/c4*1-2-3(4)5;1-2/h4*2H,1H2,(H,4,5);1-2H
InChIKeyMTORTNFSEZBQTI-UHFFFAOYSA-N
MW314.29 g/mol
LogP1.28
Rot. Bonds4

About acetylene;tetrakis(prop-2-enoic acid)

acetylene;tetrakis(prop-2-enoic acid) (PubChem CID 159667354) has the molecular formula C14H18O8 and a molecular weight of 314.29 g/mol. Its IUPAC name is acetylene;tetrakis(prop-2-enoic acid).

Molecular Properties

Compound Nameacetylene;tetrakis(prop-2-enoic acid)
PubChem CID159667354
Molecular FormulaC14H18O8
Molecular Weight314.29 g/mol
Exact Mass314.10
IUPAC Nameacetylene;tetrakis(prop-2-enoic acid)
SMILESC#C.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O
InChIInChI=1S/4C3H4O2.C2H2/c4*1-2-3(4)5;1-2/h4*2H,1H2,(H,4,5);1-2H
InChIKeyMTORTNFSEZBQTI-UHFFFAOYSA-N
XLogP1.28
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Acrylic acid potassium salt
CID 87124626
prop-2-enoic acid;hydrochloride
CID 22354205
iron(2+);prop-2-enoic acid
CID 10290804
bis(prop-2-enoic acid);hydrochloride
CID 88811054
cerium;bis(prop-2-enoic acid)
CID 169316659
CID 87061462
CID 87061462
prop-2-enoic acid;hexahydrate
CID 172682107
azane;prop-2-enoic acid
CID 173158019
lutetium;tris(prop-2-enoic acid)
CID 168865611
prop-2-enoic acid;pentahydrobromide
CID 172798031
acetylene;phosphoric acid;prop-2-enoic acid
CID 175312819
methanol;prop-2-enoic acid
CID 159043362

Frequently Asked Questions

What is the IUPAC name of acetylene;tetrakis(prop-2-enoic acid)?
The IUPAC name of acetylene;tetrakis(prop-2-enoic acid) (CID 159667354) is acetylene;tetrakis(prop-2-enoic acid).
What is the SMILES notation for acetylene;tetrakis(prop-2-enoic acid)?
The canonical SMILES for acetylene;tetrakis(prop-2-enoic acid) is C#C.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.
What is the InChIKey of acetylene;tetrakis(prop-2-enoic acid)?
The InChIKey is MTORTNFSEZBQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/4C3H4O2.C2H2/c4*1-2-3(4)5;1-2/h4*2H,1H2,(H,4,5);1-2H.
What are the key properties of acetylene;tetrakis(prop-2-enoic acid)?
acetylene;tetrakis(prop-2-enoic acid) has a molecular weight of 314.29 g/mol, XLogP of 1.28, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;tetrakis(prop-2-enoic acid) is sourced from PubChem (CID 159667354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).