(5E,9Z)-cyclotetradeca-1,3,5,9-tetraene

C14H20 — CID 173044041

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

About (5E,9Z)-cyclotetradeca-1,3,5,9-tetraene

(5E,9Z)-cyclotetradeca-1,3,5,9-tetraene (PubChem CID 173044041) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is (5E,9Z)-cyclotetradeca-1,3,5,9-tetraene.

Molecular Properties

Compound Name(5E,9Z)-cyclotetradeca-1,3,5,9-tetraene
PubChem CID173044041
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name(5E,9Z)-cyclotetradeca-1,3,5,9-tetraene
SMILESC1=C/C=C/CC/C=C\CCCCC=C1
InChIInChI=1S/C14H20/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-6,11,13H,7-10,12,14H2/b2-1?,5-3+,6-4?,13-11-
InChIKeyJOAKTHUANOKCSW-HLQBBSDESA-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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Related Compounds

(1E,3E,7Z)-cyclotetradeca-1,3,7-triene
CID 141287920
(1E,3Z,7Z)-cyclotrideca-1,3,7-triene
CID 173043894
(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
(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
cyclotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 91803237
(3Z,5E,7E,9E,11Z,13E)-cyclodocosa-1,3,5,7,9,11,13-heptaene
CID 173020863
(1Z,3Z)-cyclopentacosa-1,3,5-triene
CID 173020832
(1Z,3Z)-cyclononadeca-1,3,5-triene
CID 173020691
cyclopentadeca-1,3,5,7,9-pentaene
CID 91292222
(1E,3Z)-cyclopentadeca-1,3,5-triene
CID 173020556
cycloheptadeca-1,3,5,7-tetraene
CID 91466942

Frequently Asked Questions

What is the IUPAC name of (5E,9Z)-cyclotetradeca-1,3,5,9-tetraene?
The IUPAC name of (5E,9Z)-cyclotetradeca-1,3,5,9-tetraene (CID 173044041) is (5E,9Z)-cyclotetradeca-1,3,5,9-tetraene.
What is the SMILES notation for (5E,9Z)-cyclotetradeca-1,3,5,9-tetraene?
The canonical SMILES for (5E,9Z)-cyclotetradeca-1,3,5,9-tetraene is C1=C/C=C/CC/C=C\CCCCC=C1.
What is the InChIKey of (5E,9Z)-cyclotetradeca-1,3,5,9-tetraene?
The InChIKey is JOAKTHUANOKCSW-HLQBBSDESA-N. The full InChI is InChI=1S/C14H20/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-6,11,13H,7-10,12,14H2/b2-1?,5-3+,6-4?,13-11-.
What are the key properties of (5E,9Z)-cyclotetradeca-1,3,5,9-tetraene?
(5E,9Z)-cyclotetradeca-1,3,5,9-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 (5E,9Z)-cyclotetradeca-1,3,5,9-tetraene is sourced from PubChem (CID 173044041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).