(4Z)-cyclonona-1,4,7-triene

C9H12 — CID 123743904

IUPAC(4Z)-cyclonona-1,4,7-triene
SMILESC1=CC/C=C\CC=CC1
InChIInChI=1S/C9H12/c1-2-4-6-8-9-7-5-3-1/h1-2,5-8H,3-4,9H2/b2-1-,7-5?,8-6?
InChIKeyCDCDYENGTKUCSR-NWTZSSHTSA-N
MW120.19 g/mol
LogP2.84
Rot. Bonds

About (4Z)-cyclonona-1,4,7-triene

(4Z)-cyclonona-1,4,7-triene (PubChem CID 123743904) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is (4Z)-cyclonona-1,4,7-triene.

Molecular Properties

Compound Name(4Z)-cyclonona-1,4,7-triene
PubChem CID123743904
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name(4Z)-cyclonona-1,4,7-triene
SMILESC1=CC/C=C\CC=CC1
InChIInChI=1S/C9H12/c1-2-4-6-8-9-7-5-3-1/h1-2,5-8H,3-4,9H2/b2-1-,7-5?,8-6?
InChIKeyCDCDYENGTKUCSR-NWTZSSHTSA-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

cyclohexa-1,4-diene
CID 12343
cyclopropene
CID 141033262
(7Z)-cyclodeca-1,4,7-triene
CID 123563999
cyclotetradeca-1,3,6,9,12-pentaene
CID 90993440
(6E,9E,12Z)-cyclotetradeca-1,3,6,9,12-pentaene
CID 173030463
(1E,7E,10E)-cyclododeca-1,3,5,7,10-pentaene
CID 173030461
magnesium;cyclopropene;dibromide
CID 174914683
(1E,4E)-cyclotrideca-1,4,9-triene
CID 173030580
cyclohexa-1,4-diene;ethane;propane
CID 158923317
cyclopenta-1,3-diene
CID 159248657
(1E)-cyclotetradeca-1,4-diene
CID 173030440
(1Z,3E,6Z,10Z)-cyclododeca-1,3,6,10-tetraene
CID 173030637

Frequently Asked Questions

What is the IUPAC name of (4Z)-cyclonona-1,4,7-triene?
The IUPAC name of (4Z)-cyclonona-1,4,7-triene (CID 123743904) is (4Z)-cyclonona-1,4,7-triene.
What is the SMILES notation for (4Z)-cyclonona-1,4,7-triene?
The canonical SMILES for (4Z)-cyclonona-1,4,7-triene is C1=CC/C=C\CC=CC1.
What is the InChIKey of (4Z)-cyclonona-1,4,7-triene?
The InChIKey is CDCDYENGTKUCSR-NWTZSSHTSA-N. The full InChI is InChI=1S/C9H12/c1-2-4-6-8-9-7-5-3-1/h1-2,5-8H,3-4,9H2/b2-1-,7-5?,8-6?.
What are the key properties of (4Z)-cyclonona-1,4,7-triene?
(4Z)-cyclonona-1,4,7-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 (4Z)-cyclonona-1,4,7-triene is sourced from PubChem (CID 123743904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).