dodeca-1,2,3,4,5,6,7,8,9,10-decaene

C12H5- — CID 21360440

IUPACdodeca-1,2,3,4,5,6,7,8,9,10-decaene
SMILES[CH-]=C=C=C=C=C=C=C=C=C=CC
InChIInChI=1S/C12H5/c1-3-5-7-9-11-12-10-8-6-4-2/h1,4H,2H3/q-1
InChIKeyXOCUAJCKVNBCCS-UHFFFAOYSA-N
MW149.17 g/mol
LogP2.39
Rot. Bonds

About dodeca-1,2,3,4,5,6,7,8,9,10-decaene

dodeca-1,2,3,4,5,6,7,8,9,10-decaene (PubChem CID 21360440) has the molecular formula C12H5- and a molecular weight of 149.17 g/mol. Its IUPAC name is dodeca-1,2,3,4,5,6,7,8,9,10-decaene.

Molecular Properties

Compound Namedodeca-1,2,3,4,5,6,7,8,9,10-decaene
PubChem CID21360440
Molecular FormulaC12H5-
Molecular Weight149.17 g/mol
Exact Mass149.04
IUPAC Namedodeca-1,2,3,4,5,6,7,8,9,10-decaene
SMILES[CH-]=C=C=C=C=C=C=C=C=C=CC
InChIInChI=1S/C12H5/c1-3-5-7-9-11-12-10-8-6-4-2/h1,4H,2H3/q-1
InChIKeyXOCUAJCKVNBCCS-UHFFFAOYSA-N
XLogP2.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.17
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dodeca-1,2,3,4,5,6,7,8,9,10-decaene?
The IUPAC name of dodeca-1,2,3,4,5,6,7,8,9,10-decaene (CID 21360440) is dodeca-1,2,3,4,5,6,7,8,9,10-decaene.
What is the SMILES notation for dodeca-1,2,3,4,5,6,7,8,9,10-decaene?
The canonical SMILES for dodeca-1,2,3,4,5,6,7,8,9,10-decaene is [CH-]=C=C=C=C=C=C=C=C=C=CC.
What is the InChIKey of dodeca-1,2,3,4,5,6,7,8,9,10-decaene?
The InChIKey is XOCUAJCKVNBCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5/c1-3-5-7-9-11-12-10-8-6-4-2/h1,4H,2H3/q-1.
What are the key properties of dodeca-1,2,3,4,5,6,7,8,9,10-decaene?
dodeca-1,2,3,4,5,6,7,8,9,10-decaene has a molecular weight of 149.17 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodeca-1,2,3,4,5,6,7,8,9,10-decaene is sourced from PubChem (CID 21360440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).