8-ethyl-1,3-dimethylcyclotetradeca-1,3,5,7,9,11,13-heptaene

C18H22 — CID 91350329

IUPAC8-ethyl-1,3-dimethylcyclotetradeca-1,3,5,7,9,11,13-heptaene
SMILESCCc1ccccccc(C)cc(C)cccc1
InChIInChI=1S/C18H22/c1-4-18-13-8-6-5-7-11-16(2)15-17(3)12-9-10-14-18/h5-15H,4H2,1-3H3/b6-5+,7-5-,8-6+,10-9-,11-7+,12-9+,13-8-,14-10+,16-11+,16-15-,17-12+,17-15-,18-13-,18-14+
InChIKeyOQKCAKLHAANKSZ-UWOSHPGUSA-N
MW238.37 g/mol
LogP5.11
Rot. Bonds1

About 8-ethyl-1,3-dimethylcyclotetradeca-1,3,5,7,9,11,13-heptaene

8-ethyl-1,3-dimethylcyclotetradeca-1,3,5,7,9,11,13-heptaene (PubChem CID 91350329) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 8-ethyl-1,3-dimethylcyclotetradeca-1,3,5,7,9,11,13-heptaene.

Molecular Properties

Compound Name8-ethyl-1,3-dimethylcyclotetradeca-1,3,5,7,9,11,13-heptaene
PubChem CID91350329
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name8-ethyl-1,3-dimethylcyclotetradeca-1,3,5,7,9,11,13-heptaene
SMILESCCc1ccccccc(C)cc(C)cccc1
InChIInChI=1S/C18H22/c1-4-18-13-8-6-5-7-11-16(2)15-17(3)12-9-10-14-18/h5-15H,4H2,1-3H3/b6-5+,7-5-,8-6+,10-9-,11-7+,12-9+,13-8-,14-10+,16-11+,16-15-,17-12+,17-15-,18-13-,18-14+
InChIKeyOQKCAKLHAANKSZ-UWOSHPGUSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-1,3-dimethylcyclotetradeca-1,3,5,7,9,11,13-heptaene?
The IUPAC name of 8-ethyl-1,3-dimethylcyclotetradeca-1,3,5,7,9,11,13-heptaene (CID 91350329) is 8-ethyl-1,3-dimethylcyclotetradeca-1,3,5,7,9,11,13-heptaene.
What is the SMILES notation for 8-ethyl-1,3-dimethylcyclotetradeca-1,3,5,7,9,11,13-heptaene?
The canonical SMILES for 8-ethyl-1,3-dimethylcyclotetradeca-1,3,5,7,9,11,13-heptaene is CCc1ccccccc(C)cc(C)cccc1.
What is the InChIKey of 8-ethyl-1,3-dimethylcyclotetradeca-1,3,5,7,9,11,13-heptaene?
The InChIKey is OQKCAKLHAANKSZ-UWOSHPGUSA-N. The full InChI is InChI=1S/C18H22/c1-4-18-13-8-6-5-7-11-16(2)15-17(3)12-9-10-14-18/h5-15H,4H2,1-3H3/b6-5+,7-5-,8-6+,10-9-,11-7+,12-9+,13-8-,14-10+,16-11+,16-15-,17-12+,17-15-,18-13-,18-14+.
What are the key properties of 8-ethyl-1,3-dimethylcyclotetradeca-1,3,5,7,9,11,13-heptaene?
8-ethyl-1,3-dimethylcyclotetradeca-1,3,5,7,9,11,13-heptaene has a molecular weight of 238.37 g/mol, XLogP of 5.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1,3-dimethylcyclotetradeca-1,3,5,7,9,11,13-heptaene is sourced from PubChem (CID 91350329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).