cyclotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene

C30H34 — CID 91803237

IUPACcyclotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
SMILESC1=CC=CC=CC=CC=CC=CC=CCCCCC=CC=CC=CC=CC=CC=C1
InChIInChI=1S/C30H34/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1/h1-26H,27-30H2
InChIKeyBIUWLWGQGKSXQH-UHFFFAOYSA-N
MW394.60 g/mol
LogP8.79
Rot. Bonds

About cyclotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene

cyclotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene (PubChem CID 91803237) has the molecular formula C30H34 and a molecular weight of 394.60 g/mol. Its IUPAC name is cyclotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene.

Molecular Properties

Compound Namecyclotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
PubChem CID91803237
Molecular FormulaC30H34
Molecular Weight394.60 g/mol
Exact Mass394.27
IUPAC Namecyclotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
SMILESC1=CC=CC=CC=CC=CC=CC=CCCCCC=CC=CC=CC=CC=CC=C1
InChIInChI=1S/C30H34/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1/h1-26H,27-30H2
InChIKeyBIUWLWGQGKSXQH-UHFFFAOYSA-N
XLogP8.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.60
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(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
cyclododeca-1,3,5-triene
CID 53421619
(1Z,3Z)-cyclononadeca-1,3,5-triene
CID 173020691
(1E,3Z)-cyclopentadeca-1,3,5-triene
CID 173020556
cycloheptadeca-1,3,5,7-tetraene
CID 91466942
(1E,3E,5Z,7E,9Z,11Z,13E)-cyclopentacosa-1,3,5,7,9,11,13,15-octaene
CID 173020996
cyclohenicosa-1,3,5,7,9,11,13-heptaene
CID 90691443
cyclopentadeca-1,3,5,7,9-pentaene
CID 91292222
cycloheptacosa-1,3,5,7,9,11,13,15-octaene
CID 91401488
(1E,3E,5Z,7E)-cyclotrideca-1,3,5,7-tetraene
CID 141118570

Frequently Asked Questions

What is the IUPAC name of cyclotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene?
The IUPAC name of cyclotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene (CID 91803237) is cyclotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene.
What is the SMILES notation for cyclotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene?
The canonical SMILES for cyclotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene is C1=CC=CC=CC=CC=CC=CC=CCCCCC=CC=CC=CC=CC=CC=C1.
What is the InChIKey of cyclotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene?
The InChIKey is BIUWLWGQGKSXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1/h1-26H,27-30H2.
What are the key properties of cyclotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene?
cyclotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene has a molecular weight of 394.60 g/mol, XLogP of 8.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene is sourced from PubChem (CID 91803237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).