(1E,8E)-cyclotetradeca-1,4,8-triene

C14H22 — CID 173030555

IUPAC(1E,8E)-cyclotetradeca-1,4,8-triene
SMILESC1=CCC/C=C/CCCCC/C=C/C1
InChIInChI=1S/C14H22/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-2,5,7-8,10H,3-4,6,9,11-14H2/b2-1?,7-5+,10-8+
InChIKeyYUQRPIZTAWNHBQ-DZEXATICSA-N
MW190.33 g/mol
LogP4.79
Rot. Bonds

About (1E,8E)-cyclotetradeca-1,4,8-triene

(1E,8E)-cyclotetradeca-1,4,8-triene (PubChem CID 173030555) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is (1E,8E)-cyclotetradeca-1,4,8-triene.

Molecular Properties

Compound Name(1E,8E)-cyclotetradeca-1,4,8-triene
PubChem CID173030555
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name(1E,8E)-cyclotetradeca-1,4,8-triene
SMILESC1=CCC/C=C/CCCCC/C=C/C1
InChIInChI=1S/C14H22/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-2,5,7-8,10H,3-4,6,9,11-14H2/b2-1?,7-5+,10-8+
InChIKeyYUQRPIZTAWNHBQ-DZEXATICSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1E)-cyclotetradeca-1,4-diene
CID 173030440
(1E,5E)-cyclooctadeca-1,5-diene
CID 143896645
cyclohexaconta-1,5,13,17,25,29,37,41,49,53-decaene
CID 23412584
(5E)-cyclotetradeca-1,5-diene
CID 173030551
(1E,5Z)-cycloundeca-1,5-diene
CID 13049653
(1E,4E)-cyclotrideca-1,4,9-triene
CID 173030580
(1E)-cyclooctadeca-1,8-diene
CID 173129359
cyclopentadecene
CID 5463009
(7Z)-cyclodeca-1,4,7-triene
CID 123563999
(1Z,9E,17E)-cyclotetracosa-1,9,17-triene
CID 153422638
(5Z)-cyclodeca-1,5-diene
CID 97293620
(1E,8E)-cyclotetradeca-1,8-diene
CID 638080

Frequently Asked Questions

What is the IUPAC name of (1E,8E)-cyclotetradeca-1,4,8-triene?
The IUPAC name of (1E,8E)-cyclotetradeca-1,4,8-triene (CID 173030555) is (1E,8E)-cyclotetradeca-1,4,8-triene.
What is the SMILES notation for (1E,8E)-cyclotetradeca-1,4,8-triene?
The canonical SMILES for (1E,8E)-cyclotetradeca-1,4,8-triene is C1=CCC/C=C/CCCCC/C=C/C1.
What is the InChIKey of (1E,8E)-cyclotetradeca-1,4,8-triene?
The InChIKey is YUQRPIZTAWNHBQ-DZEXATICSA-N. The full InChI is InChI=1S/C14H22/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-2,5,7-8,10H,3-4,6,9,11-14H2/b2-1?,7-5+,10-8+.
What are the key properties of (1E,8E)-cyclotetradeca-1,4,8-triene?
(1E,8E)-cyclotetradeca-1,4,8-triene has a molecular weight of 190.33 g/mol, XLogP of 4.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,8E)-cyclotetradeca-1,4,8-triene is sourced from PubChem (CID 173030555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).