5-ethyl-7-methylnona-2,4-diene

C12H22 — CID 123846326

IUPAC5-ethyl-7-methylnona-2,4-diene
SMILESCC=CC=C(CC)CC(C)CC
InChIInChI=1S/C12H22/c1-5-8-9-12(7-3)10-11(4)6-2/h5,8-9,11H,6-7,10H2,1-4H3
InChIKeyKTJDRGQPLILUOV-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.34
Rot. Bonds5

About 5-ethyl-7-methylnona-2,4-diene

5-ethyl-7-methylnona-2,4-diene (PubChem CID 123846326) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 5-ethyl-7-methylnona-2,4-diene.

Molecular Properties

Compound Name5-ethyl-7-methylnona-2,4-diene
PubChem CID123846326
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name5-ethyl-7-methylnona-2,4-diene
SMILESCC=CC=C(CC)CC(C)CC
InChIInChI=1S/C12H22/c1-5-8-9-12(7-3)10-11(4)6-2/h5,8-9,11H,6-7,10H2,1-4H3
InChIKeyKTJDRGQPLILUOV-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-5-ethyl-7-methylocta-2,4-diene
CID 173194163
3-ethyl-5-methylhept-2-ene
CID 90962982
(2Z,4Z)-7-methyl-5-prop-1-en-2-ylnona-2,4-diene
CID 145116686
(2Z,4E)-2-ethyl-N-methylhexa-2,4-dien-1-amine
CID 55298161
5-ethylidene-3,7-dimethyldecane
CID 91539867
5-ethyl-3,11-dimethyltridec-5-ene
CID 123408628
(4Z,6Z)-4-ethylocta-1,4,6-triene;methanamine
CID 142945126
3-ethyl-5,6-dimethyloct-2-ene
CID 123995420
2-ethylhexa-2,4-dienyl carbamate
CID 123678203
2,3,6-trimethyloctan-4-imine
CID 123559173
ethane;(2Z,4E)-5-(2-methoxyethyl)octa-2,4-diene;2-methylbutane
CID 143380177
ethane;3-methylpentane;(3Z)-penta-1,3-diene;propane
CID 142901462

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-methylnona-2,4-diene?
The IUPAC name of 5-ethyl-7-methylnona-2,4-diene (CID 123846326) is 5-ethyl-7-methylnona-2,4-diene.
What is the SMILES notation for 5-ethyl-7-methylnona-2,4-diene?
The canonical SMILES for 5-ethyl-7-methylnona-2,4-diene is CC=CC=C(CC)CC(C)CC.
What is the InChIKey of 5-ethyl-7-methylnona-2,4-diene?
The InChIKey is KTJDRGQPLILUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-5-8-9-12(7-3)10-11(4)6-2/h5,8-9,11H,6-7,10H2,1-4H3.
What are the key properties of 5-ethyl-7-methylnona-2,4-diene?
5-ethyl-7-methylnona-2,4-diene has a molecular weight of 166.31 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-methylnona-2,4-diene is sourced from PubChem (CID 123846326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).