4-ethyl-7-methylnona-1,5-diene

C12H22 — CID 123181426

IUPAC4-ethyl-7-methylnona-1,5-diene
SMILESC=CCC(C=CC(C)CC)CC
InChIInChI=1S/C12H22/c1-5-8-12(7-3)10-9-11(4)6-2/h5,9-12H,1,6-8H2,2-4H3
InChIKeySOTFEVWHJACWIS-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.19
Rot. Bonds6

About 4-ethyl-7-methylnona-1,5-diene

4-ethyl-7-methylnona-1,5-diene (PubChem CID 123181426) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 4-ethyl-7-methylnona-1,5-diene.

Molecular Properties

Compound Name4-ethyl-7-methylnona-1,5-diene
PubChem CID123181426
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name4-ethyl-7-methylnona-1,5-diene
SMILESC=CCC(C=CC(C)CC)CC
InChIInChI=1S/C12H22/c1-5-8-12(7-3)10-9-11(4)6-2/h5,9-12H,1,6-8H2,2-4H3
InChIKeySOTFEVWHJACWIS-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,6-dimethyloct-4-ene
CID 73165576
4-ethyldeca-1,5-diene
CID 175490783
9-methyl-6-pent-4-en-2-ylundeca-3,7-diene
CID 57160448
5-ethenyl-3-ethylocta-1,7-diene
CID 150052452
sodium;hydride;4-methylhex-1-ene
CID 173048656
2-ethyl-N-methylpent-4-en-1-imine
CID 123486283
methyl (2E)-4-ethylhepta-2,6-dienoate
CID 12681348
2-ethylpent-4-enylidene-bis(2-methylpropyl)azanium bromide
CID 86714716
4-methyl-6-(2-methylbutylidene)dodeca-1,11-diene
CID 173347034
N-ethenyl-N,3-dimethylpent-1-en-1-amine
CID 123257858
3,6-dimethyloct-4-ene-1,1-diol
CID 139779740
4,5,6-trimethyloct-1-ene
CID 91354249

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-methylnona-1,5-diene?
The IUPAC name of 4-ethyl-7-methylnona-1,5-diene (CID 123181426) is 4-ethyl-7-methylnona-1,5-diene.
What is the SMILES notation for 4-ethyl-7-methylnona-1,5-diene?
The canonical SMILES for 4-ethyl-7-methylnona-1,5-diene is C=CCC(C=CC(C)CC)CC.
What is the InChIKey of 4-ethyl-7-methylnona-1,5-diene?
The InChIKey is SOTFEVWHJACWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-5-8-12(7-3)10-9-11(4)6-2/h5,9-12H,1,6-8H2,2-4H3.
What are the key properties of 4-ethyl-7-methylnona-1,5-diene?
4-ethyl-7-methylnona-1,5-diene has a molecular weight of 166.31 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-methylnona-1,5-diene is sourced from PubChem (CID 123181426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).