ethane;1-[(1E,3E)-nona-1,3-dienyl]cyclohexa-1,3-diene

C17H28 — CID 142101264

IUPACethane;1-[(1E,3E)-nona-1,3-dienyl]cyclohexa-1,3-diene
SMILESCC.CCCCC/C=C/C=C/C1=CC=CCC1
InChIInChI=1S/C15H22.C2H6/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15;1-2/h6-10,12-13H,2-5,11,14H2,1H3;1-2H3/b7-6+,12-9+;
InChIKeyKMVIGPGEBSGCQV-GXLXOTSPSA-N
MW232.41 g/mol
LogP5.98
Rot. Bonds6

About ethane;1-[(1E,3E)-nona-1,3-dienyl]cyclohexa-1,3-diene

ethane;1-[(1E,3E)-nona-1,3-dienyl]cyclohexa-1,3-diene (PubChem CID 142101264) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is ethane;1-[(1E,3E)-nona-1,3-dienyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Nameethane;1-[(1E,3E)-nona-1,3-dienyl]cyclohexa-1,3-diene
PubChem CID142101264
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Nameethane;1-[(1E,3E)-nona-1,3-dienyl]cyclohexa-1,3-diene
SMILESCC.CCCCC/C=C/C=C/C1=CC=CCC1
InChIInChI=1S/C15H22.C2H6/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15;1-2/h6-10,12-13H,2-5,11,14H2,1H3;1-2H3/b7-6+,12-9+;
InChIKeyKMVIGPGEBSGCQV-GXLXOTSPSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[(1E,3E)-nona-1,3-dienyl]cyclohexa-1,3-diene?
The IUPAC name of ethane;1-[(1E,3E)-nona-1,3-dienyl]cyclohexa-1,3-diene (CID 142101264) is ethane;1-[(1E,3E)-nona-1,3-dienyl]cyclohexa-1,3-diene.
What is the SMILES notation for ethane;1-[(1E,3E)-nona-1,3-dienyl]cyclohexa-1,3-diene?
The canonical SMILES for ethane;1-[(1E,3E)-nona-1,3-dienyl]cyclohexa-1,3-diene is CC.CCCCC/C=C/C=C/C1=CC=CCC1.
What is the InChIKey of ethane;1-[(1E,3E)-nona-1,3-dienyl]cyclohexa-1,3-diene?
The InChIKey is KMVIGPGEBSGCQV-GXLXOTSPSA-N. The full InChI is InChI=1S/C15H22.C2H6/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15;1-2/h6-10,12-13H,2-5,11,14H2,1H3;1-2H3/b7-6+,12-9+;.
What are the key properties of ethane;1-[(1E,3E)-nona-1,3-dienyl]cyclohexa-1,3-diene?
ethane;1-[(1E,3E)-nona-1,3-dienyl]cyclohexa-1,3-diene has a molecular weight of 232.41 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(1E,3E)-nona-1,3-dienyl]cyclohexa-1,3-diene is sourced from PubChem (CID 142101264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).