6-ethyl-5,8-dimethylnona-2,4-diene

C13H24 — CID 123215869

IUPAC6-ethyl-5,8-dimethylnona-2,4-diene
SMILESCC=CC=C(C)C(CC)CC(C)C
InChIInChI=1S/C13H24/c1-6-8-9-12(5)13(7-2)10-11(3)4/h6,8-9,11,13H,7,10H2,1-5H3
InChIKeyHNUWQQGAAQRIBV-UHFFFAOYSA-N
MW180.34 g/mol
LogP4.58
Rot. Bonds5

About 6-ethyl-5,8-dimethylnona-2,4-diene

6-ethyl-5,8-dimethylnona-2,4-diene (PubChem CID 123215869) has the molecular formula C13H24 and a molecular weight of 180.34 g/mol. Its IUPAC name is 6-ethyl-5,8-dimethylnona-2,4-diene.

Molecular Properties

Compound Name6-ethyl-5,8-dimethylnona-2,4-diene
PubChem CID123215869
Molecular FormulaC13H24
Molecular Weight180.34 g/mol
Exact Mass180.19
IUPAC Name6-ethyl-5,8-dimethylnona-2,4-diene
SMILESCC=CC=C(C)C(CC)CC(C)C
InChIInChI=1S/C13H24/c1-6-8-9-12(5)13(7-2)10-11(3)4/h6,8-9,11,13H,7,10H2,1-5H3
InChIKeyHNUWQQGAAQRIBV-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 54.58
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

(2Z,4Z)-6-fluoro-5-methylhepta-2,4-diene
CID 143911112
ethane;2-methylbutane;(4E)-2-methylhexa-2,4-diene;2-methylpropane;prop-1-ene
CID 153392422
5,6-dimethyldeca-2,4-diene
CID 91470784
3-methyl-N-propylhepta-3,5-dien-2-amine
CID 123356687
ethane;3-ethyl-5-methylhexan-2-one
CID 143623383
(2E,4E)-5-ethyl-7-methylocta-2,4-diene
CID 173194163
4-methylocta-4,6-dien-3-ylbenzene
CID 123891099
2-methylbutane;bis(2-methylbut-2-ene)
CID 162288148
(2Z,4Z)-7-methyl-5-prop-1-en-2-ylnona-2,4-diene
CID 145116686
5-ethyl-7-methylnona-2,4-diene
CID 123846326
ethane;(2Z,4Z,6E)-octa-2,4,6-triene;N,N,5-trimethylhexan-3-amine
CID 143670584
3-methyl-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]pentan-2-imine
CID 178092345

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5,8-dimethylnona-2,4-diene?
The IUPAC name of 6-ethyl-5,8-dimethylnona-2,4-diene (CID 123215869) is 6-ethyl-5,8-dimethylnona-2,4-diene.
What is the SMILES notation for 6-ethyl-5,8-dimethylnona-2,4-diene?
The canonical SMILES for 6-ethyl-5,8-dimethylnona-2,4-diene is CC=CC=C(C)C(CC)CC(C)C.
What is the InChIKey of 6-ethyl-5,8-dimethylnona-2,4-diene?
The InChIKey is HNUWQQGAAQRIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-6-8-9-12(5)13(7-2)10-11(3)4/h6,8-9,11,13H,7,10H2,1-5H3.
What are the key properties of 6-ethyl-5,8-dimethylnona-2,4-diene?
6-ethyl-5,8-dimethylnona-2,4-diene has a molecular weight of 180.34 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5,8-dimethylnona-2,4-diene is sourced from PubChem (CID 123215869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).