(2Z,4E)-5-benzylcycloocta-2,4-dien-1-one

C15H16O — CID 102264743

IUPAC(2Z,4E)-5-benzylcycloocta-2,4-dien-1-one
SMILESO=C1/C=C\C=C(\Cc2ccccc2)CCC1
InChIInChI=1S/C15H16O/c16-15-10-4-8-14(9-5-11-15)12-13-6-2-1-3-7-13/h1-4,6-8,10H,5,9,11-12H2/b10-4-,14-8+
InChIKeyIUDCYGXKLKDHNB-BQIUDISKSA-N
MW212.29 g/mol
LogP3.46
Rot. Bonds2

About (2Z,4E)-5-benzylcycloocta-2,4-dien-1-one

(2Z,4E)-5-benzylcycloocta-2,4-dien-1-one (PubChem CID 102264743) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is (2Z,4E)-5-benzylcycloocta-2,4-dien-1-one.

Molecular Properties

Compound Name(2Z,4E)-5-benzylcycloocta-2,4-dien-1-one
PubChem CID102264743
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name(2Z,4E)-5-benzylcycloocta-2,4-dien-1-one
SMILESO=C1/C=C\C=C(\Cc2ccccc2)CCC1
InChIInChI=1S/C15H16O/c16-15-10-4-8-14(9-5-11-15)12-13-6-2-1-3-7-13/h1-4,6-8,10H,5,9,11-12H2/b10-4-,14-8+
InChIKeyIUDCYGXKLKDHNB-BQIUDISKSA-N
XLogP3.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 73330308
(4E)-5-benzylcyclooct-4-en-1-ol
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phenyl(113C)methylbenzene
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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-benzylcycloocta-2,4-dien-1-one?
The IUPAC name of (2Z,4E)-5-benzylcycloocta-2,4-dien-1-one (CID 102264743) is (2Z,4E)-5-benzylcycloocta-2,4-dien-1-one.
What is the SMILES notation for (2Z,4E)-5-benzylcycloocta-2,4-dien-1-one?
The canonical SMILES for (2Z,4E)-5-benzylcycloocta-2,4-dien-1-one is O=C1/C=C\C=C(\Cc2ccccc2)CCC1.
What is the InChIKey of (2Z,4E)-5-benzylcycloocta-2,4-dien-1-one?
The InChIKey is IUDCYGXKLKDHNB-BQIUDISKSA-N. The full InChI is InChI=1S/C15H16O/c16-15-10-4-8-14(9-5-11-15)12-13-6-2-1-3-7-13/h1-4,6-8,10H,5,9,11-12H2/b10-4-,14-8+.
What are the key properties of (2Z,4E)-5-benzylcycloocta-2,4-dien-1-one?
(2Z,4E)-5-benzylcycloocta-2,4-dien-1-one has a molecular weight of 212.29 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-benzylcycloocta-2,4-dien-1-one is sourced from PubChem (CID 102264743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).