6-ethyl-2,3-dimethylnona-1,5-diene

C13H24 — CID 123632115

IUPAC6-ethyl-2,3-dimethylnona-1,5-diene
SMILESC=C(C)C(C)CC=C(CC)CCC
InChIInChI=1S/C13H24/c1-6-8-13(7-2)10-9-12(5)11(3)4/h10,12H,3,6-9H2,1-2,4-5H3
InChIKeyNABLNEKCRWUJID-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.73
Rot. Bonds6

About 6-ethyl-2,3-dimethylnona-1,5-diene

6-ethyl-2,3-dimethylnona-1,5-diene (PubChem CID 123632115) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 6-ethyl-2,3-dimethylnona-1,5-diene.

Molecular Properties

Compound Name6-ethyl-2,3-dimethylnona-1,5-diene
PubChem CID123632115
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name6-ethyl-2,3-dimethylnona-1,5-diene
SMILESC=C(C)C(C)CC=C(CC)CCC
InChIInChI=1S/C13H24/c1-6-8-13(7-2)10-9-12(5)11(3)4/h10,12H,3,6-9H2,1-2,4-5H3
InChIKeyNABLNEKCRWUJID-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.73
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

ethane;(3E)-4-ethyl-2-methylhepta-1,3-diene
CID 168939588
5,8-dimethylnon-7-en-4-one
CID 118393642
1-(2,3-dimethylbut-3-enyl)-4-(2-methyl-3-methylidenehexyl)piperazine
CID 167073389
2,3-dimethylpent-1-ene;ethane
CID 143286891
6-ethyl-2-methyldec-5-ene
CID 123276587
2,3,5-trimethylocta-1,5-diene
CID 123730712
2,3-dimethylbut-1-ene;2-methylbut-1-ene;2-methylbut-2-ene;3-methylhex-2-ene
CID 173400648
2,3,7,7-tetramethylocta-1,5-diene
CID 54573409
2,3,4-trimethyl-5-methylideneoct-1-ene
CID 91393907
(E)-2,5-dimethyloct-4-ene
CID 173056267
(E)-2,6-dimethylnon-5-enoate
CID 59229388
5-ethylnona-1,5-diene
CID 54516473

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,3-dimethylnona-1,5-diene?
The IUPAC name of 6-ethyl-2,3-dimethylnona-1,5-diene (CID 123632115) is 6-ethyl-2,3-dimethylnona-1,5-diene.
What is the SMILES notation for 6-ethyl-2,3-dimethylnona-1,5-diene?
The canonical SMILES for 6-ethyl-2,3-dimethylnona-1,5-diene is C=C(C)C(C)CC=C(CC)CCC.
What is the InChIKey of 6-ethyl-2,3-dimethylnona-1,5-diene?
The InChIKey is NABLNEKCRWUJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-6-8-13(7-2)10-9-12(5)11(3)4/h10,12H,3,6-9H2,1-2,4-5H3.
What are the key properties of 6-ethyl-2,3-dimethylnona-1,5-diene?
6-ethyl-2,3-dimethylnona-1,5-diene has a molecular weight of 180.33 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,3-dimethylnona-1,5-diene is sourced from PubChem (CID 123632115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).