(1E,5Z)-1-[(E)-but-2-enyl]cycloocta-1,5-diene

C12H18 — CID 23182356

IUPAC(1E,5Z)-1-[(E)-but-2-enyl]cycloocta-1,5-diene
SMILESC/C=C/C/C1=C/CC/C=C\CC1
InChIInChI=1S/C12H18/c1-2-3-9-12-10-7-5-4-6-8-11-12/h2-5,11H,6-10H2,1H3/b3-2+,5-4-,12-11-
InChIKeyTYTNAZGJFBGONE-UYRWCQOXSA-N
MW162.28 g/mol
LogP4.01
Rot. Bonds2

About (1E,5Z)-1-[(E)-but-2-enyl]cycloocta-1,5-diene

(1E,5Z)-1-[(E)-but-2-enyl]cycloocta-1,5-diene (PubChem CID 23182356) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is (1E,5Z)-1-[(E)-but-2-enyl]cycloocta-1,5-diene.

Molecular Properties

Compound Name(1E,5Z)-1-[(E)-but-2-enyl]cycloocta-1,5-diene
PubChem CID23182356
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name(1E,5Z)-1-[(E)-but-2-enyl]cycloocta-1,5-diene
SMILESC/C=C/C/C1=C/CC/C=C\CC1
InChIInChI=1S/C12H18/c1-2-3-9-12-10-7-5-4-6-8-11-12/h2-5,11H,6-10H2,1H3/b3-2+,5-4-,12-11-
InChIKeyTYTNAZGJFBGONE-UYRWCQOXSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,5Z)-1-[(E)-but-2-enyl]cycloocta-1,5-diene?
The IUPAC name of (1E,5Z)-1-[(E)-but-2-enyl]cycloocta-1,5-diene (CID 23182356) is (1E,5Z)-1-[(E)-but-2-enyl]cycloocta-1,5-diene.
What is the SMILES notation for (1E,5Z)-1-[(E)-but-2-enyl]cycloocta-1,5-diene?
The canonical SMILES for (1E,5Z)-1-[(E)-but-2-enyl]cycloocta-1,5-diene is C/C=C/C/C1=C/CC/C=C\CC1.
What is the InChIKey of (1E,5Z)-1-[(E)-but-2-enyl]cycloocta-1,5-diene?
The InChIKey is TYTNAZGJFBGONE-UYRWCQOXSA-N. The full InChI is InChI=1S/C12H18/c1-2-3-9-12-10-7-5-4-6-8-11-12/h2-5,11H,6-10H2,1H3/b3-2+,5-4-,12-11-.
What are the key properties of (1E,5Z)-1-[(E)-but-2-enyl]cycloocta-1,5-diene?
(1E,5Z)-1-[(E)-but-2-enyl]cycloocta-1,5-diene has a molecular weight of 162.28 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,5Z)-1-[(E)-but-2-enyl]cycloocta-1,5-diene is sourced from PubChem (CID 23182356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).