cyclooctadeca-1,3-diene

C18H32 — CID 54378792

IUPACcyclooctadeca-1,3-diene
SMILESC1=CCCCCCCCCCCCCCCC=C1
InChIInChI=1S/C18H32/c1-2-4-6-8-10-12-14-16-18-17-15-13-11-9-7-5-3-1/h1-4H,5-18H2
InChIKeyUYLILEKBAGZJDQ-UHFFFAOYSA-N
MW248.45 g/mol
LogP6.57
Rot. Bonds

About cyclooctadeca-1,3-diene

cyclooctadeca-1,3-diene (PubChem CID 54378792) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is cyclooctadeca-1,3-diene.

Molecular Properties

Compound Namecyclooctadeca-1,3-diene
PubChem CID54378792
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Namecyclooctadeca-1,3-diene
SMILESC1=CCCCCCCCCCCCCCCC=C1
InChIInChI=1S/C18H32/c1-2-4-6-8-10-12-14-16-18-17-15-13-11-9-7-5-3-1/h1-4H,5-18H2
InChIKeyUYLILEKBAGZJDQ-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1E,3E)-cycloundeca-1,3-diene
CID 12636669
(3Z)-cyclodocosa-1,3-diene
CID 173020815
(1Z,3Z)-cyclotricosa-1,3-diene
CID 162365220
(1Z)-cyclononadeca-1,3-diene
CID 173020870
(1Z)-cyclononacosa-1,3-diene
CID 162365218
(1E,3Z)-cyclopentadeca-1,3,5-triene
CID 173020556
cycloheptadeca-1,3,5,7-tetraene
CID 91466942
cyclohenicosa-1,3,5,7,9,11,13-heptaene
CID 90691443
(1E,3E,5Z,7E,9Z,11Z,13E)-cyclopentacosa-1,3,5,7,9,11,13,15-octaene
CID 173020996
(1Z,3Z)-cyclononadeca-1,3,5-triene
CID 173020691
cyclopentadeca-1,3,5,7,9-pentaene
CID 91292222
cyclotricosa-1,3,5,7,9-pentaene
CID 90742480

Frequently Asked Questions

What is the IUPAC name of cyclooctadeca-1,3-diene?
The IUPAC name of cyclooctadeca-1,3-diene (CID 54378792) is cyclooctadeca-1,3-diene.
What is the SMILES notation for cyclooctadeca-1,3-diene?
The canonical SMILES for cyclooctadeca-1,3-diene is C1=CCCCCCCCCCCCCCCC=C1.
What is the InChIKey of cyclooctadeca-1,3-diene?
The InChIKey is UYLILEKBAGZJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32/c1-2-4-6-8-10-12-14-16-18-17-15-13-11-9-7-5-3-1/h1-4H,5-18H2.
What are the key properties of cyclooctadeca-1,3-diene?
cyclooctadeca-1,3-diene has a molecular weight of 248.45 g/mol, XLogP of 6.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctadeca-1,3-diene is sourced from PubChem (CID 54378792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).