(1E,8E)-cyclotetradeca-1,3,5,8-tetraene

C14H20 — CID 173030442

IUPAC(1E,8E)-cyclotetradeca-1,3,5,8-tetraene
SMILESC1=C/C=C/CCCCC/C=C/CC=C1
InChIInChI=1S/C14H20/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-6,9,11H,7-8,10,12-14H2/b2-1?,5-3?,6-4+,11-9+
InChIKeyKTNYREKWKCTGGV-QSDULGBESA-N
MW188.31 g/mol
LogP4.57
Rot. Bonds

About (1E,8E)-cyclotetradeca-1,3,5,8-tetraene

(1E,8E)-cyclotetradeca-1,3,5,8-tetraene (PubChem CID 173030442) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is (1E,8E)-cyclotetradeca-1,3,5,8-tetraene.

Molecular Properties

Compound Name(1E,8E)-cyclotetradeca-1,3,5,8-tetraene
PubChem CID173030442
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name(1E,8E)-cyclotetradeca-1,3,5,8-tetraene
SMILESC1=C/C=C/CCCCC/C=C/CC=C1
InChIInChI=1S/C14H20/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-6,9,11H,7-8,10,12-14H2/b2-1?,5-3?,6-4+,11-9+
InChIKeyKTNYREKWKCTGGV-QSDULGBESA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.57
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,8E)-cyclotetradeca-1,3,5,8-tetraene?
The IUPAC name of (1E,8E)-cyclotetradeca-1,3,5,8-tetraene (CID 173030442) is (1E,8E)-cyclotetradeca-1,3,5,8-tetraene.
What is the SMILES notation for (1E,8E)-cyclotetradeca-1,3,5,8-tetraene?
The canonical SMILES for (1E,8E)-cyclotetradeca-1,3,5,8-tetraene is C1=C/C=C/CCCCC/C=C/CC=C1.
What is the InChIKey of (1E,8E)-cyclotetradeca-1,3,5,8-tetraene?
The InChIKey is KTNYREKWKCTGGV-QSDULGBESA-N. The full InChI is InChI=1S/C14H20/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-6,9,11H,7-8,10,12-14H2/b2-1?,5-3?,6-4+,11-9+.
What are the key properties of (1E,8E)-cyclotetradeca-1,3,5,8-tetraene?
(1E,8E)-cyclotetradeca-1,3,5,8-tetraene has a molecular weight of 188.31 g/mol, XLogP of 4.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,8E)-cyclotetradeca-1,3,5,8-tetraene is sourced from PubChem (CID 173030442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).