5-[(1E,3E)-2,3-bis(ethenyl)hexa-1,3,5-trienyl]cyclohexa-1,3-diene

C16H18 — CID 140938366

IUPAC5-[(1E,3E)-2,3-bis(ethenyl)hexa-1,3,5-trienyl]cyclohexa-1,3-diene
SMILESC=C/C=C(C=C)/C(C=C)=C/C1C=CC=CC1
InChIInChI=1S/C16H18/c1-4-10-15(5-2)16(6-3)13-14-11-8-7-9-12-14/h4-11,13-14H,1-3,12H2/b15-10+,16-13+
InChIKeyJVMXVOHSFYNKMU-XGJXTRRESA-N
MW210.32 g/mol
LogP4.53
Rot. Bonds5

About 5-[(1E,3E)-2,3-bis(ethenyl)hexa-1,3,5-trienyl]cyclohexa-1,3-diene

5-[(1E,3E)-2,3-bis(ethenyl)hexa-1,3,5-trienyl]cyclohexa-1,3-diene (PubChem CID 140938366) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-[(1E,3E)-2,3-bis(ethenyl)hexa-1,3,5-trienyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-[(1E,3E)-2,3-bis(ethenyl)hexa-1,3,5-trienyl]cyclohexa-1,3-diene
PubChem CID140938366
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name5-[(1E,3E)-2,3-bis(ethenyl)hexa-1,3,5-trienyl]cyclohexa-1,3-diene
SMILESC=C/C=C(C=C)/C(C=C)=C/C1C=CC=CC1
InChIInChI=1S/C16H18/c1-4-10-15(5-2)16(6-3)13-14-11-8-7-9-12-14/h4-11,13-14H,1-3,12H2/b15-10+,16-13+
InChIKeyJVMXVOHSFYNKMU-XGJXTRRESA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.53
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 5-[(1E,3E)-2,3-bis(ethenyl)hexa-1,3,5-trienyl]cyclohexa-1,3-diene?
The IUPAC name of 5-[(1E,3E)-2,3-bis(ethenyl)hexa-1,3,5-trienyl]cyclohexa-1,3-diene (CID 140938366) is 5-[(1E,3E)-2,3-bis(ethenyl)hexa-1,3,5-trienyl]cyclohexa-1,3-diene.
What is the SMILES notation for 5-[(1E,3E)-2,3-bis(ethenyl)hexa-1,3,5-trienyl]cyclohexa-1,3-diene?
The canonical SMILES for 5-[(1E,3E)-2,3-bis(ethenyl)hexa-1,3,5-trienyl]cyclohexa-1,3-diene is C=C/C=C(C=C)/C(C=C)=C/C1C=CC=CC1.
What is the InChIKey of 5-[(1E,3E)-2,3-bis(ethenyl)hexa-1,3,5-trienyl]cyclohexa-1,3-diene?
The InChIKey is JVMXVOHSFYNKMU-XGJXTRRESA-N. The full InChI is InChI=1S/C16H18/c1-4-10-15(5-2)16(6-3)13-14-11-8-7-9-12-14/h4-11,13-14H,1-3,12H2/b15-10+,16-13+.
What are the key properties of 5-[(1E,3E)-2,3-bis(ethenyl)hexa-1,3,5-trienyl]cyclohexa-1,3-diene?
5-[(1E,3E)-2,3-bis(ethenyl)hexa-1,3,5-trienyl]cyclohexa-1,3-diene has a molecular weight of 210.32 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1E,3E)-2,3-bis(ethenyl)hexa-1,3,5-trienyl]cyclohexa-1,3-diene is sourced from PubChem (CID 140938366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).