(1E,3E,7Z)-cyclotetradeca-1,3,7-triene

C14H22 — CID 141287920

IUPAC(1E,3E,7Z)-cyclotetradeca-1,3,7-triene
SMILESC1=C\CCCCCC/C=C/C=C/CC/1
InChIInChI=1S/C14H22/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-4,9,11H,5-8,10,12-14H2/b3-1+,4-2+,11-9-
InChIKeyQUUZWNULBQQXOP-JTLYMSKOSA-N
MW190.33 g/mol
LogP4.79
Rot. Bonds

About (1E,3E,7Z)-cyclotetradeca-1,3,7-triene

(1E,3E,7Z)-cyclotetradeca-1,3,7-triene (PubChem CID 141287920) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is (1E,3E,7Z)-cyclotetradeca-1,3,7-triene.

Molecular Properties

Compound Name(1E,3E,7Z)-cyclotetradeca-1,3,7-triene
PubChem CID141287920
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name(1E,3E,7Z)-cyclotetradeca-1,3,7-triene
SMILESC1=C\CCCCCC/C=C/C=C/CC/1
InChIInChI=1S/C14H22/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-4,9,11H,5-8,10,12-14H2/b3-1+,4-2+,11-9-
InChIKeyQUUZWNULBQQXOP-JTLYMSKOSA-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,3Z,7Z)-cyclotrideca-1,3,7-triene
CID 173043894
(5E,9Z)-cyclotetradeca-1,3,5,9-tetraene
CID 173044041
(1Z,3Z)-cyclotricosa-1,3-diene
CID 162365220
cyclooctadeca-1,3-diene
CID 54378792
(1Z)-cyclononadeca-1,3-diene
CID 173020870
(1E,3E)-cycloundeca-1,3-diene
CID 12636669
(3Z)-cyclodocosa-1,3-diene
CID 173020815
(1Z)-cyclononacosa-1,3-diene
CID 162365218
(1E,3Z)-cyclopentadeca-1,3,5-triene
CID 173020556
cycloheptadeca-1,3,5,7-tetraene
CID 91466942
(1Z,3Z)-cyclononadeca-1,3,5-triene
CID 173020691
(1E,7E)-cycloundeca-1,3,7-triene
CID 173030664

Frequently Asked Questions

What is the IUPAC name of (1E,3E,7Z)-cyclotetradeca-1,3,7-triene?
The IUPAC name of (1E,3E,7Z)-cyclotetradeca-1,3,7-triene (CID 141287920) is (1E,3E,7Z)-cyclotetradeca-1,3,7-triene.
What is the SMILES notation for (1E,3E,7Z)-cyclotetradeca-1,3,7-triene?
The canonical SMILES for (1E,3E,7Z)-cyclotetradeca-1,3,7-triene is C1=C\CCCCCC/C=C/C=C/CC/1.
What is the InChIKey of (1E,3E,7Z)-cyclotetradeca-1,3,7-triene?
The InChIKey is QUUZWNULBQQXOP-JTLYMSKOSA-N. The full InChI is InChI=1S/C14H22/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-4,9,11H,5-8,10,12-14H2/b3-1+,4-2+,11-9-.
What are the key properties of (1E,3E,7Z)-cyclotetradeca-1,3,7-triene?
(1E,3E,7Z)-cyclotetradeca-1,3,7-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,3E,7Z)-cyclotetradeca-1,3,7-triene is sourced from PubChem (CID 141287920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).