3-ethyl-7-methylundeca-4,6-diene

C14H26 — CID 123921813

IUPAC3-ethyl-7-methylundeca-4,6-diene
SMILESCCCCC(C)=CC=CC(CC)CC
InChIInChI=1S/C14H26/c1-5-8-10-13(4)11-9-12-14(6-2)7-3/h9,11-12,14H,5-8,10H2,1-4H3
InChIKeyVYHBOQWRCCMPNG-UHFFFAOYSA-N
MW194.36 g/mol
LogP5.12
Rot. Bonds7

About 3-ethyl-7-methylundeca-4,6-diene

3-ethyl-7-methylundeca-4,6-diene (PubChem CID 123921813) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 3-ethyl-7-methylundeca-4,6-diene.

Molecular Properties

Compound Name3-ethyl-7-methylundeca-4,6-diene
PubChem CID123921813
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name3-ethyl-7-methylundeca-4,6-diene
SMILESCCCCC(C)=CC=CC(CC)CC
InChIInChI=1S/C14H26/c1-5-8-10-13(4)11-9-12-14(6-2)7-3/h9,11-12,14H,5-8,10H2,1-4H3
InChIKeyVYHBOQWRCCMPNG-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500194.36
LogP ≤ 55.12
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

(1E,3Z)-4-methyl-N-propan-2-ylocta-1,3-dien-1-amine
CID 144585252
(2E,4E)-5-methyldeca-2,4-diene
CID 14899750
(6E,8E)-6,9-dimethyltetradeca-6,8-diene
CID 16741365
(2E,4E)-5-methyldodeca-2,4-diene
CID 143978306
[(1E,3E)-4-methylocta-1,3-dienyl]benzene
CID 13273746
3,7-dimethyldeca-1,4,6-triene
CID 123725882
4-methyloct-3-ene
CID 85445337
3-methyloct-2-enal
CID 54333143
4-methylnona-1,3-diene
CID 71327710
(4E,6E,8S)-4,8-dimethyldeca-4,6-dienoic acid
CID 11367593
(2Z,4E)-5,9-dimethyldodeca-2,4-diene
CID 143714794
(E)-1,1-dimethoxy-3-methylhept-2-ene
CID 13244487

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-methylundeca-4,6-diene?
The IUPAC name of 3-ethyl-7-methylundeca-4,6-diene (CID 123921813) is 3-ethyl-7-methylundeca-4,6-diene.
What is the SMILES notation for 3-ethyl-7-methylundeca-4,6-diene?
The canonical SMILES for 3-ethyl-7-methylundeca-4,6-diene is CCCCC(C)=CC=CC(CC)CC.
What is the InChIKey of 3-ethyl-7-methylundeca-4,6-diene?
The InChIKey is VYHBOQWRCCMPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-5-8-10-13(4)11-9-12-14(6-2)7-3/h9,11-12,14H,5-8,10H2,1-4H3.
What are the key properties of 3-ethyl-7-methylundeca-4,6-diene?
3-ethyl-7-methylundeca-4,6-diene has a molecular weight of 194.36 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-methylundeca-4,6-diene is sourced from PubChem (CID 123921813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).