ethylcyclodecapentaene

C12H14 — CID 90861705

IUPACethylcyclodecapentaene
SMILESCCc1ccccccccc1
InChIInChI=1S/C12H14/c1-2-12-10-8-6-4-3-5-7-9-11-12/h3-11H,2H2,1H3/b4-3-,5-3+,6-4-,7-5+,8-6-,9-7-,10-8+,11-9-,12-10+,12-11-
InChIKeyDXJOZXUZOYVWPC-HWMFZYLESA-N
MW158.24 g/mol
LogP3.37
Rot. Bonds1

About ethylcyclodecapentaene

ethylcyclodecapentaene (PubChem CID 90861705) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is ethylcyclodecapentaene.

Molecular Properties

Compound Nameethylcyclodecapentaene
PubChem CID90861705
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Nameethylcyclodecapentaene
SMILESCCc1ccccccccc1
InChIInChI=1S/C12H14/c1-2-12-10-8-6-4-3-5-7-9-11-12/h3-11H,2H2,1H3/b4-3-,5-3+,6-4-,7-5+,8-6-,9-7-,10-8+,11-9-,12-10+,12-11-
InChIKeyDXJOZXUZOYVWPC-HWMFZYLESA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethylcyclodecapentaene?
The IUPAC name of ethylcyclodecapentaene (CID 90861705) is ethylcyclodecapentaene.
What is the SMILES notation for ethylcyclodecapentaene?
The canonical SMILES for ethylcyclodecapentaene is CCc1ccccccccc1.
What is the InChIKey of ethylcyclodecapentaene?
The InChIKey is DXJOZXUZOYVWPC-HWMFZYLESA-N. The full InChI is InChI=1S/C12H14/c1-2-12-10-8-6-4-3-5-7-9-11-12/h3-11H,2H2,1H3/b4-3-,5-3+,6-4-,7-5+,8-6-,9-7-,10-8+,11-9-,12-10+,12-11-.
What are the key properties of ethylcyclodecapentaene?
ethylcyclodecapentaene has a molecular weight of 158.24 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylcyclodecapentaene is sourced from PubChem (CID 90861705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).