cyclodeca-1,3,5-triene;2-methylprop-2-enoic acid

C14H20O2 — CID 77225013

IUPACcyclodeca-1,3,5-triene;2-methylprop-2-enoic acid
SMILESC1=CC=CCCCCC=C1.C=C(C)C(=O)O
InChIInChI=1S/C10H14.C4H6O2/c1-2-4-6-8-10-9-7-5-3-1;1-3(2)4(5)6/h1-6H,7-10H2;1H2,2H3,(H,5,6)
InChIKeySKTHONAEZCRESC-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.88
Rot. Bonds1

About cyclodeca-1,3,5-triene;2-methylprop-2-enoic acid

cyclodeca-1,3,5-triene;2-methylprop-2-enoic acid (PubChem CID 77225013) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is cyclodeca-1,3,5-triene;2-methylprop-2-enoic acid.

Molecular Properties

Compound Namecyclodeca-1,3,5-triene;2-methylprop-2-enoic acid
PubChem CID77225013
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Namecyclodeca-1,3,5-triene;2-methylprop-2-enoic acid
SMILESC1=CC=CCCCCC=C1.C=C(C)C(=O)O
InChIInChI=1S/C10H14.C4H6O2/c1-2-4-6-8-10-9-7-5-3-1;1-3(2)4(5)6/h1-6H,7-10H2;1H2,2H3,(H,5,6)
InChIKeySKTHONAEZCRESC-UHFFFAOYSA-N
XLogP3.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(1Z,3E,5E,7Z,9E)-cyclotetradeca-1,3,5,7,9-pentaene
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cyclotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
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(1Z,3Z,5Z,7Z,9Z,11Z)-cyclohexadeca-1,3,5,7,9,11-hexaene
CID 172907233
[(1Z,3E,5E)-cyclodeca-1,3,5-trien-1-yl] 2-methylprop-2-enoate
CID 140539298
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CID 68582164
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CID 131883821
CID 131883821

Frequently Asked Questions

What is the IUPAC name of cyclodeca-1,3,5-triene;2-methylprop-2-enoic acid?
The IUPAC name of cyclodeca-1,3,5-triene;2-methylprop-2-enoic acid (CID 77225013) is cyclodeca-1,3,5-triene;2-methylprop-2-enoic acid.
What is the SMILES notation for cyclodeca-1,3,5-triene;2-methylprop-2-enoic acid?
The canonical SMILES for cyclodeca-1,3,5-triene;2-methylprop-2-enoic acid is C1=CC=CCCCCC=C1.C=C(C)C(=O)O.
What is the InChIKey of cyclodeca-1,3,5-triene;2-methylprop-2-enoic acid?
The InChIKey is SKTHONAEZCRESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C4H6O2/c1-2-4-6-8-10-9-7-5-3-1;1-3(2)4(5)6/h1-6H,7-10H2;1H2,2H3,(H,5,6).
What are the key properties of cyclodeca-1,3,5-triene;2-methylprop-2-enoic acid?
cyclodeca-1,3,5-triene;2-methylprop-2-enoic acid has a molecular weight of 220.31 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclodeca-1,3,5-triene;2-methylprop-2-enoic acid is sourced from PubChem (CID 77225013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).