(1E,3Z,5E)-cyclododeca-1,3,5,8,10-pentaene

C12H14 — CID 173030962

IUPAC(1E,3Z,5E)-cyclododeca-1,3,5,8,10-pentaene
SMILESC1=CC/C=C/C=C\C=C\CC=C1
InChIInChI=1S/C12H14/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-6,9-12H,7-8H2/b2-1-,5-3+,6-4+,11-9?,12-10?
InChIKeyFHPNBAXJSPQUEQ-GCLFYPCXSA-N
MW158.24 g/mol
LogP3.56
Rot. Bonds

About (1E,3Z,5E)-cyclododeca-1,3,5,8,10-pentaene

(1E,3Z,5E)-cyclododeca-1,3,5,8,10-pentaene (PubChem CID 173030962) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is (1E,3Z,5E)-cyclododeca-1,3,5,8,10-pentaene.

Molecular Properties

Compound Name(1E,3Z,5E)-cyclododeca-1,3,5,8,10-pentaene
PubChem CID173030962
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name(1E,3Z,5E)-cyclododeca-1,3,5,8,10-pentaene
SMILESC1=CC/C=C/C=C\C=C\CC=C1
InChIInChI=1S/C12H14/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-6,9-12H,7-8H2/b2-1-,5-3+,6-4+,11-9?,12-10?
InChIKeyFHPNBAXJSPQUEQ-GCLFYPCXSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1Z,3E,5Z,8E)-cyclododeca-1,3,5,8,10-pentaene
CID 173118485
(1Z,3Z,5Z,7Z,9Z)-cycloundeca-1,3,5,7,9-pentaene
CID 102477763
(1E,7E,10E)-cyclododeca-1,3,5,7,10-pentaene
CID 173030461
CID 162307581
CID 162307581
cyclohepta-1,3,5-triene;molybdenum
CID 158138098
cyclopenta-1,3-diene
CID 159248657
cobalt;bis(cyclopenta-1,3-diene)
CID 12507894
bis(cyclopenta-1,3-diene);samarium
CID 12780607
cyclopenta-1,3-diene;osmium
CID 161133624
sodium cyclopenta-1,3-diene
CID 19606718
potassium cyclopenta-1,3-diene
CID 22494929
chromium;cyclopenta-1,3-diene
CID 158699246

Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5E)-cyclododeca-1,3,5,8,10-pentaene?
The IUPAC name of (1E,3Z,5E)-cyclododeca-1,3,5,8,10-pentaene (CID 173030962) is (1E,3Z,5E)-cyclododeca-1,3,5,8,10-pentaene.
What is the SMILES notation for (1E,3Z,5E)-cyclododeca-1,3,5,8,10-pentaene?
The canonical SMILES for (1E,3Z,5E)-cyclododeca-1,3,5,8,10-pentaene is C1=CC/C=C/C=C\C=C\CC=C1.
What is the InChIKey of (1E,3Z,5E)-cyclododeca-1,3,5,8,10-pentaene?
The InChIKey is FHPNBAXJSPQUEQ-GCLFYPCXSA-N. The full InChI is InChI=1S/C12H14/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-6,9-12H,7-8H2/b2-1-,5-3+,6-4+,11-9?,12-10?.
What are the key properties of (1E,3Z,5E)-cyclododeca-1,3,5,8,10-pentaene?
(1E,3Z,5E)-cyclododeca-1,3,5,8,10-pentaene has a molecular weight of 158.24 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5E)-cyclododeca-1,3,5,8,10-pentaene is sourced from PubChem (CID 173030962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).