(1Z,3Z)-cyclonona-1,3,6-triene

C9H12 — CID 172705596

IUPAC(1Z,3Z)-cyclonona-1,3,6-triene
SMILESC1=CCC/C=C\C=C/C1
InChIInChI=1S/C9H12/c1-2-4-6-8-9-7-5-3-1/h1-4,7,9H,5-6,8H2/b3-1-,4-2-,9-7?
InChIKeyDNRZWYGHTIEMRJ-HTWQLYEISA-N
MW120.19 g/mol
LogP2.84
Rot. Bonds

About (1Z,3Z)-cyclonona-1,3,6-triene

(1Z,3Z)-cyclonona-1,3,6-triene (PubChem CID 172705596) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is (1Z,3Z)-cyclonona-1,3,6-triene.

Molecular Properties

Compound Name(1Z,3Z)-cyclonona-1,3,6-triene
PubChem CID172705596
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name(1Z,3Z)-cyclonona-1,3,6-triene
SMILESC1=CCC/C=C\C=C/C1
InChIInChI=1S/C9H12/c1-2-4-6-8-9-7-5-3-1/h1-4,7,9H,5-6,8H2/b3-1-,4-2-,9-7?
InChIKeyDNRZWYGHTIEMRJ-HTWQLYEISA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.84
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,6E)-cyclotrideca-1,3,6,10-tetraene
CID 91188209
(1E,3Z)-cyclonona-1,3,6-triene
CID 173030680
(1E,3Z,5E,8E)-cyclotetradeca-1,3,5,8,11-pentaene
CID 173030944
(1E,3Z,5E,11Z)-cyclotetradeca-1,3,5,8,11-pentaene
CID 173030681
(1Z,3E,5Z,7E)-cyclotrideca-1,3,5,7,10-pentaene
CID 173030820
(1Z,3E,5Z,8Z)-cyclotetradeca-1,3,5,8,11-pentaene
CID 173044042
(3Z,5E,7E,10Z)-cyclotrideca-1,3,5,7,10-pentaene
CID 173044026
(1Z,3Z,5E)-cycloundeca-1,3,5,8-tetraene
CID 173044022
cyclotetradeca-1,3,6,9,11-pentaene
CID 91126226
(1Z,3E,6Z,10Z)-cyclododeca-1,3,6,10-tetraene
CID 173030637
(7E,10E)-cyclotrideca-1,3,7,10-tetraene
CID 173030929
cycloocta-1,5-diene;cyclopenta-1,3-diene
CID 158343600

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-cyclonona-1,3,6-triene?
The IUPAC name of (1Z,3Z)-cyclonona-1,3,6-triene (CID 172705596) is (1Z,3Z)-cyclonona-1,3,6-triene.
What is the SMILES notation for (1Z,3Z)-cyclonona-1,3,6-triene?
The canonical SMILES for (1Z,3Z)-cyclonona-1,3,6-triene is C1=CCC/C=C\C=C/C1.
What is the InChIKey of (1Z,3Z)-cyclonona-1,3,6-triene?
The InChIKey is DNRZWYGHTIEMRJ-HTWQLYEISA-N. The full InChI is InChI=1S/C9H12/c1-2-4-6-8-9-7-5-3-1/h1-4,7,9H,5-6,8H2/b3-1-,4-2-,9-7?.
What are the key properties of (1Z,3Z)-cyclonona-1,3,6-triene?
(1Z,3Z)-cyclonona-1,3,6-triene has a molecular weight of 120.19 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-cyclonona-1,3,6-triene is sourced from PubChem (CID 172705596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).