cyclotrideca-1,3,8-triene

C13H20 — CID 90959908

IUPACcyclotrideca-1,3,8-triene
SMILESC1=CCCCC=CCCCCC=C1
InChIInChI=1S/C13H20/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-4,11,13H,5-10,12H2
InChIKeyALTYDOJBAIDTBM-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.40
Rot. Bonds

About cyclotrideca-1,3,8-triene

cyclotrideca-1,3,8-triene (PubChem CID 90959908) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is cyclotrideca-1,3,8-triene.

Molecular Properties

Compound Namecyclotrideca-1,3,8-triene
PubChem CID90959908
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Namecyclotrideca-1,3,8-triene
SMILESC1=CCCCC=CCCCCC=C1
InChIInChI=1S/C13H20/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-4,11,13H,5-10,12H2
InChIKeyALTYDOJBAIDTBM-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.40
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)-cyclotrideca-1,3,8-triene
CID 91284250
(1E,7E)-cycloundeca-1,3,7-triene
CID 173030664
(1Z,3E,7E)-cycloundeca-1,3,7-triene
CID 173030528
(1E,3Z,8E,10Z)-cyclotetradeca-1,3,8,10-tetraene
CID 173030963
(1E,3E)-cycloocta-1,3-diene
CID 6330372
(1E,3E,7Z)-cyclotetradeca-1,3,7-triene
CID 141287920
(5E,9Z)-cyclotetradeca-1,3,5,9-tetraene
CID 173044041
(1E,3Z,7Z)-cyclotrideca-1,3,7-triene
CID 173043894
(1Z,3Z)-cyclotricosa-1,3-diene
CID 162365220
cyclooctadeca-1,3-diene
CID 54378792
(1Z)-cyclononadeca-1,3-diene
CID 173020870
(1Z,3E,5Z)-cyclonona-1,3,5-triene
CID 12652504

Frequently Asked Questions

What is the IUPAC name of cyclotrideca-1,3,8-triene?
The IUPAC name of cyclotrideca-1,3,8-triene (CID 90959908) is cyclotrideca-1,3,8-triene.
What is the SMILES notation for cyclotrideca-1,3,8-triene?
The canonical SMILES for cyclotrideca-1,3,8-triene is C1=CCCCC=CCCCCC=C1.
What is the InChIKey of cyclotrideca-1,3,8-triene?
The InChIKey is ALTYDOJBAIDTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-4,11,13H,5-10,12H2.
What are the key properties of cyclotrideca-1,3,8-triene?
cyclotrideca-1,3,8-triene has a molecular weight of 176.30 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclotrideca-1,3,8-triene is sourced from PubChem (CID 90959908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).