methane;nona-1,2-diene

C17H48 — CID 159006498

IUPACmethane;nona-1,2-diene
SMILESC.C.C.C.C.C.C.C.C=C=CCCCCCC
InChIInChI=1S/C9H16.8CH4/c1-3-5-7-9-8-6-4-2;;;;;;;;/h5H,1,4,6-9H2,2H3;8*1H4
InChIKeyJRZFOTONCBVDSZ-UHFFFAOYSA-N
MW252.57 g/mol
LogP8.39
Rot. Bonds5

About methane;nona-1,2-diene

methane;nona-1,2-diene (PubChem CID 159006498) has the molecular formula C17H48 and a molecular weight of 252.57 g/mol. Its IUPAC name is methane;nona-1,2-diene.

Molecular Properties

Compound Namemethane;nona-1,2-diene
PubChem CID159006498
Molecular FormulaC17H48
Molecular Weight252.57 g/mol
Exact Mass252.38
IUPAC Namemethane;nona-1,2-diene
SMILESC.C.C.C.C.C.C.C.C=C=CCCCCCC
InChIInChI=1S/C9H16.8CH4/c1-3-5-7-9-8-6-4-2;;;;;;;;/h5H,1,4,6-9H2,2H3;8*1H4
InChIKeyJRZFOTONCBVDSZ-UHFFFAOYSA-N
XLogP8.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.57
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Hexadecene
CID 12395
1-Octadecene
CID 8217
1-Heptadecene
CID 23217
1-Hexacosene
CID 29303
1-Eicosene
CID 18936
1-Nonadecene
CID 29075
1-Docosene
CID 74138
1-Tricosene
CID 181154
1-Tetracosene
CID 82436
1-Octacosene
CID 87821
Dotriacont-1-ene
CID 87640
Heneicosene
CID 3015374

Frequently Asked Questions

What is the IUPAC name of methane;nona-1,2-diene?
The IUPAC name of methane;nona-1,2-diene (CID 159006498) is methane;nona-1,2-diene.
What is the SMILES notation for methane;nona-1,2-diene?
The canonical SMILES for methane;nona-1,2-diene is C.C.C.C.C.C.C.C.C=C=CCCCCCC.
What is the InChIKey of methane;nona-1,2-diene?
The InChIKey is JRZFOTONCBVDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16.8CH4/c1-3-5-7-9-8-6-4-2;;;;;;;;/h5H,1,4,6-9H2,2H3;8*1H4.
What are the key properties of methane;nona-1,2-diene?
methane;nona-1,2-diene has a molecular weight of 252.57 g/mol, XLogP of 8.39, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;nona-1,2-diene is sourced from PubChem (CID 159006498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).