(1E,3E)-cycloocta-1,3-diene

C8H12 — CID 6330372

IUPAC(1E,3E)-cycloocta-1,3-diene
SMILESC1=C\CCCC\C=C/1
InChIInChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-4H,5-8H2/b3-1-,4-2-
InChIKeyRRKODOZNUZCUBN-CCAGOZQPSA-N
MW108.18 g/mol
LogP2.67
Rot. Bonds

About (1E,3E)-cycloocta-1,3-diene

(1E,3E)-cycloocta-1,3-diene (PubChem CID 6330372) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is (1E,3E)-cycloocta-1,3-diene.

Molecular Properties

Compound Name(1E,3E)-cycloocta-1,3-diene
PubChem CID6330372
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name(1E,3E)-cycloocta-1,3-diene
SMILESC1=C\CCCC\C=C/1
InChIInChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-4H,5-8H2/b3-1-,4-2-
InChIKeyRRKODOZNUZCUBN-CCAGOZQPSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1E,3E)-cycloundeca-1,3-diene
CID 12636669
(3Z,5Z,7Z,9E,11E,13E,15Z,17E,19E,21E,23Z)-cyclooctacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
CID 173020706
(3Z)-cyclodocosa-1,3-diene
CID 173020815
(1Z,3E,5E,7Z,9E)-cyclotetradeca-1,3,5,7,9-pentaene
CID 173043953
(1Z,3Z,5Z,7Z,9Z,11Z)-cyclohexadeca-1,3,5,7,9,11-hexaene
CID 172907233
(1Z,3Z)-cyclotricosa-1,3-diene
CID 162365220
cyclooctadeca-1,3-diene
CID 54378792
(1Z)-cyclononadeca-1,3-diene
CID 173020870
cyclotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 91803237
(1Z)-cyclononacosa-1,3-diene
CID 162365218
cycloheptacosa-1,3,5,7,9,11,13,15-octaene
CID 91401488
(1E,3E,5Z,7E)-cyclotrideca-1,3,5,7-tetraene
CID 141118570

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-cycloocta-1,3-diene?
The IUPAC name of (1E,3E)-cycloocta-1,3-diene (CID 6330372) is (1E,3E)-cycloocta-1,3-diene.
What is the SMILES notation for (1E,3E)-cycloocta-1,3-diene?
The canonical SMILES for (1E,3E)-cycloocta-1,3-diene is C1=C\CCCC\C=C/1.
What is the InChIKey of (1E,3E)-cycloocta-1,3-diene?
The InChIKey is RRKODOZNUZCUBN-CCAGOZQPSA-N. The full InChI is InChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-4H,5-8H2/b3-1-,4-2-.
What are the key properties of (1E,3E)-cycloocta-1,3-diene?
(1E,3E)-cycloocta-1,3-diene has a molecular weight of 108.18 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-cycloocta-1,3-diene is sourced from PubChem (CID 6330372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).