(1Z,3E,5Z,7E)-cyclotrideca-1,3,5,7,10-pentaene

C13H16 — CID 173030820

IUPAC(1Z,3E,5Z,7E)-cyclotrideca-1,3,5,7,10-pentaene
SMILESC1=CCC/C=C\C=C\C=C/C=C/C1
InChIInChI=1S/C13H16/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-8,11,13H,9-10,12H2/b3-1-,4-2+,7-5+,8-6-,13-11?
InChIKeyCIYUDJWCAQHNCM-QMMPWTEUSA-N
MW172.27 g/mol
LogP3.95
Rot. Bonds

About (1Z,3E,5Z,7E)-cyclotrideca-1,3,5,7,10-pentaene

(1Z,3E,5Z,7E)-cyclotrideca-1,3,5,7,10-pentaene (PubChem CID 173030820) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is (1Z,3E,5Z,7E)-cyclotrideca-1,3,5,7,10-pentaene.

Molecular Properties

Compound Name(1Z,3E,5Z,7E)-cyclotrideca-1,3,5,7,10-pentaene
PubChem CID173030820
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name(1Z,3E,5Z,7E)-cyclotrideca-1,3,5,7,10-pentaene
SMILESC1=CCC/C=C\C=C\C=C/C=C/C1
InChIInChI=1S/C13H16/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-8,11,13H,9-10,12H2/b3-1-,4-2+,7-5+,8-6-,13-11?
InChIKeyCIYUDJWCAQHNCM-QMMPWTEUSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.95
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 (1Z,3E,5Z,7E)-cyclotrideca-1,3,5,7,10-pentaene?
The IUPAC name of (1Z,3E,5Z,7E)-cyclotrideca-1,3,5,7,10-pentaene (CID 173030820) is (1Z,3E,5Z,7E)-cyclotrideca-1,3,5,7,10-pentaene.
What is the SMILES notation for (1Z,3E,5Z,7E)-cyclotrideca-1,3,5,7,10-pentaene?
The canonical SMILES for (1Z,3E,5Z,7E)-cyclotrideca-1,3,5,7,10-pentaene is C1=CCC/C=C\C=C\C=C/C=C/C1.
What is the InChIKey of (1Z,3E,5Z,7E)-cyclotrideca-1,3,5,7,10-pentaene?
The InChIKey is CIYUDJWCAQHNCM-QMMPWTEUSA-N. The full InChI is InChI=1S/C13H16/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-8,11,13H,9-10,12H2/b3-1-,4-2+,7-5+,8-6-,13-11?.
What are the key properties of (1Z,3E,5Z,7E)-cyclotrideca-1,3,5,7,10-pentaene?
(1Z,3E,5Z,7E)-cyclotrideca-1,3,5,7,10-pentaene has a molecular weight of 172.27 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,5Z,7E)-cyclotrideca-1,3,5,7,10-pentaene is sourced from PubChem (CID 173030820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).