ethane;ethene;(Z)-4-ethenylhex-4-enoic acid

C12H22O2 — CID 177225786

IUPACethane;ethene;(Z)-4-ethenylhex-4-enoic acid
SMILESC=C.C=C/C(=C\C)CCC(=O)O.CC
InChIInChI=1S/C8H12O2.C2H6.C2H4/c1-3-7(4-2)5-6-8(9)10;2*1-2/h3-4H,1,5-6H2,2H3,(H,9,10);1-2H3;1-2H2/b7-4+;;
InChIKeyPIIAVQRYLPWHNZ-RDRKJGRWSA-N
MW198.31 g/mol
LogP3.81
Rot. Bonds4

About ethane;ethene;(Z)-4-ethenylhex-4-enoic acid

ethane;ethene;(Z)-4-ethenylhex-4-enoic acid (PubChem CID 177225786) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is ethane;ethene;(Z)-4-ethenylhex-4-enoic acid.

Molecular Properties

Compound Nameethane;ethene;(Z)-4-ethenylhex-4-enoic acid
PubChem CID177225786
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Nameethane;ethene;(Z)-4-ethenylhex-4-enoic acid
SMILESC=C.C=C/C(=C\C)CCC(=O)O.CC
InChIInChI=1S/C8H12O2.C2H6.C2H4/c1-3-7(4-2)5-6-8(9)10;2*1-2/h3-4H,1,5-6H2,2H3,(H,9,10);1-2H3;1-2H2/b7-4+;;
InChIKeyPIIAVQRYLPWHNZ-RDRKJGRWSA-N
XLogP3.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;ethene;(Z)-4-ethenylhex-4-enoic acid?
The IUPAC name of ethane;ethene;(Z)-4-ethenylhex-4-enoic acid (CID 177225786) is ethane;ethene;(Z)-4-ethenylhex-4-enoic acid.
What is the SMILES notation for ethane;ethene;(Z)-4-ethenylhex-4-enoic acid?
The canonical SMILES for ethane;ethene;(Z)-4-ethenylhex-4-enoic acid is C=C.C=C/C(=C\C)CCC(=O)O.CC.
What is the InChIKey of ethane;ethene;(Z)-4-ethenylhex-4-enoic acid?
The InChIKey is PIIAVQRYLPWHNZ-RDRKJGRWSA-N. The full InChI is InChI=1S/C8H12O2.C2H6.C2H4/c1-3-7(4-2)5-6-8(9)10;2*1-2/h3-4H,1,5-6H2,2H3,(H,9,10);1-2H3;1-2H2/b7-4+;;.
What are the key properties of ethane;ethene;(Z)-4-ethenylhex-4-enoic acid?
ethane;ethene;(Z)-4-ethenylhex-4-enoic acid has a molecular weight of 198.31 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;(Z)-4-ethenylhex-4-enoic acid is sourced from PubChem (CID 177225786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).