(1E,5Z)-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]cycloocta-1,5-diene

C16H22 — CID 155804319

IUPAC(1E,5Z)-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]cycloocta-1,5-diene
SMILESC1=C\CCC(/C2=C/CC/C=C\CC2)=C\CC/1
InChIInChI=1S/C16H22/c1-3-7-11-15(12-8-4-1)16-13-9-5-2-6-10-14-16/h1-3,5,12,14H,4,6-11,13H2/b3-1-,5-2-,15-12+,16-14+
InChIKeyHDKWYWCKRNPHEW-NHGNIBMPSA-N
MW214.35 g/mol
LogP5.10
Rot. Bonds1

About (1E,5Z)-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]cycloocta-1,5-diene

(1E,5Z)-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]cycloocta-1,5-diene (PubChem CID 155804319) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is (1E,5Z)-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]cycloocta-1,5-diene.

Molecular Properties

Compound Name(1E,5Z)-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]cycloocta-1,5-diene
PubChem CID155804319
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name(1E,5Z)-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]cycloocta-1,5-diene
SMILESC1=C\CCC(/C2=C/CC/C=C\CC2)=C\CC/1
InChIInChI=1S/C16H22/c1-3-7-11-15(12-8-4-1)16-13-9-5-2-6-10-14-16/h1-3,5,12,14H,4,6-11,13H2/b3-1-,5-2-,15-12+,16-14+
InChIKeyHDKWYWCKRNPHEW-NHGNIBMPSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.35
LogP ≤ 55.10
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-[(1E,5Z)-cycloocta-1,5-dien-1-yl]cycloocta-1,5-diene?
The IUPAC name of (1E,5Z)-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]cycloocta-1,5-diene (CID 155804319) is (1E,5Z)-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]cycloocta-1,5-diene.
What is the SMILES notation for (1E,5Z)-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]cycloocta-1,5-diene?
The canonical SMILES for (1E,5Z)-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]cycloocta-1,5-diene is C1=C\CCC(/C2=C/CC/C=C\CC2)=C\CC/1.
What is the InChIKey of (1E,5Z)-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]cycloocta-1,5-diene?
The InChIKey is HDKWYWCKRNPHEW-NHGNIBMPSA-N. The full InChI is InChI=1S/C16H22/c1-3-7-11-15(12-8-4-1)16-13-9-5-2-6-10-14-16/h1-3,5,12,14H,4,6-11,13H2/b3-1-,5-2-,15-12+,16-14+.
What are the key properties of (1E,5Z)-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]cycloocta-1,5-diene?
(1E,5Z)-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]cycloocta-1,5-diene has a molecular weight of 214.35 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,5Z)-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]cycloocta-1,5-diene is sourced from PubChem (CID 155804319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).