2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexa-1,3-diene

C14H16 — CID 142158229

IUPAC2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexa-1,3-diene
SMILESC=C/C=C\C(=C/C=C)C1=CCCC=C1
InChIInChI=1S/C14H16/c1-3-5-10-13(9-4-2)14-11-7-6-8-12-14/h3-5,7,9-12H,1-2,6,8H2/b10-5-,13-9+
InChIKeyVYKJADMENUXWJU-GXCNYSEGSA-N
MW184.28 g/mol
LogP4.12
Rot. Bonds4

About 2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexa-1,3-diene

2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexa-1,3-diene (PubChem CID 142158229) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexa-1,3-diene
PubChem CID142158229
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexa-1,3-diene
SMILESC=C/C=C\C(=C/C=C)C1=CCCC=C1
InChIInChI=1S/C14H16/c1-3-5-10-13(9-4-2)14-11-7-6-8-12-14/h3-5,7,9-12H,1-2,6,8H2/b10-5-,13-9+
InChIKeyVYKJADMENUXWJU-GXCNYSEGSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexa-1,3-diene?
The IUPAC name of 2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexa-1,3-diene (CID 142158229) is 2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexa-1,3-diene.
What is the SMILES notation for 2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexa-1,3-diene?
The canonical SMILES for 2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexa-1,3-diene is C=C/C=C\C(=C/C=C)C1=CCCC=C1.
What is the InChIKey of 2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexa-1,3-diene?
The InChIKey is VYKJADMENUXWJU-GXCNYSEGSA-N. The full InChI is InChI=1S/C14H16/c1-3-5-10-13(9-4-2)14-11-7-6-8-12-14/h3-5,7,9-12H,1-2,6,8H2/b10-5-,13-9+.
What are the key properties of 2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexa-1,3-diene?
2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexa-1,3-diene has a molecular weight of 184.28 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexa-1,3-diene is sourced from PubChem (CID 142158229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).