(5E)-5-[(Z)-5-ethoxypent-2-enylidene]cyclohexa-1,3-diene

C13H18O — CID 88992531

IUPAC(5E)-5-[(Z)-5-ethoxypent-2-enylidene]cyclohexa-1,3-diene
SMILESCCOCC/C=C\C=C1\C=CC=CC1
InChIInChI=1S/C13H18O/c1-2-14-12-8-4-7-11-13-9-5-3-6-10-13/h3-7,9,11H,2,8,10,12H2,1H3/b7-4-,13-11-
InChIKeyDRXUVPCZUFUBLN-JDOGMBEQSA-N
MW190.29 g/mol
LogP3.41
Rot. Bonds5

About (5E)-5-[(Z)-5-ethoxypent-2-enylidene]cyclohexa-1,3-diene

(5E)-5-[(Z)-5-ethoxypent-2-enylidene]cyclohexa-1,3-diene (PubChem CID 88992531) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (5E)-5-[(Z)-5-ethoxypent-2-enylidene]cyclohexa-1,3-diene.

Molecular Properties

Compound Name(5E)-5-[(Z)-5-ethoxypent-2-enylidene]cyclohexa-1,3-diene
PubChem CID88992531
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(5E)-5-[(Z)-5-ethoxypent-2-enylidene]cyclohexa-1,3-diene
SMILESCCOCC/C=C\C=C1\C=CC=CC1
InChIInChI=1S/C13H18O/c1-2-14-12-8-4-7-11-13-9-5-3-6-10-13/h3-7,9,11H,2,8,10,12H2,1H3/b7-4-,13-11-
InChIKeyDRXUVPCZUFUBLN-JDOGMBEQSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(Z)-5-ethoxypent-2-enylidene]cyclohexa-1,3-diene?
The IUPAC name of (5E)-5-[(Z)-5-ethoxypent-2-enylidene]cyclohexa-1,3-diene (CID 88992531) is (5E)-5-[(Z)-5-ethoxypent-2-enylidene]cyclohexa-1,3-diene.
What is the SMILES notation for (5E)-5-[(Z)-5-ethoxypent-2-enylidene]cyclohexa-1,3-diene?
The canonical SMILES for (5E)-5-[(Z)-5-ethoxypent-2-enylidene]cyclohexa-1,3-diene is CCOCC/C=C\C=C1\C=CC=CC1.
What is the InChIKey of (5E)-5-[(Z)-5-ethoxypent-2-enylidene]cyclohexa-1,3-diene?
The InChIKey is DRXUVPCZUFUBLN-JDOGMBEQSA-N. The full InChI is InChI=1S/C13H18O/c1-2-14-12-8-4-7-11-13-9-5-3-6-10-13/h3-7,9,11H,2,8,10,12H2,1H3/b7-4-,13-11-.
What are the key properties of (5E)-5-[(Z)-5-ethoxypent-2-enylidene]cyclohexa-1,3-diene?
(5E)-5-[(Z)-5-ethoxypent-2-enylidene]cyclohexa-1,3-diene has a molecular weight of 190.29 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(Z)-5-ethoxypent-2-enylidene]cyclohexa-1,3-diene is sourced from PubChem (CID 88992531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).