5-ethyl-6-methylhepta-1,3-diene

C10H18 — CID 91204773

IUPAC5-ethyl-6-methylhepta-1,3-diene
SMILESC=CC=CC(CC)C(C)C
InChIInChI=1S/C10H18/c1-5-7-8-10(6-2)9(3)4/h5,7-10H,1,6H2,2-4H3
InChIKeyJGXMCTIDTCNTIU-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.41
Rot. Bonds4

About 5-ethyl-6-methylhepta-1,3-diene

5-ethyl-6-methylhepta-1,3-diene (PubChem CID 91204773) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 5-ethyl-6-methylhepta-1,3-diene.

Molecular Properties

Compound Name5-ethyl-6-methylhepta-1,3-diene
PubChem CID91204773
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name5-ethyl-6-methylhepta-1,3-diene
SMILESC=CC=CC(CC)C(C)C
InChIInChI=1S/C10H18/c1-5-7-8-10(6-2)9(3)4/h5,7-10H,1,6H2,2-4H3
InChIKeyJGXMCTIDTCNTIU-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.41
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

(5E)-4-methylocta-5,7-dien-3-ol
CID 15579187
5-(methyldisulfanyl)hepta-1,3-diene
CID 123802058
ethane;3-methylpentane;(3Z)-penta-1,3-diene;propane
CID 142901462
5-methylnona-1,3-diene
CID 90893682
(3E,6E,8E)-5-methyldeca-1,3,6,8-tetraene
CID 132576789
3,4-diethyl-5-methylhex-1-ene
CID 22107333
(3E)-5-methylhepta-1,3,6-triene
CID 5367027
(E)-1-ethoxy-4-ethyl-5-methylhex-2-ene
CID 177330593
(E,3R,6S)-6-ethyl-3-hydroxy-3,7-dimethyloct-4-enoic acid
CID 162954909
ethane;(3Z)-hexa-1,3,5-triene;propane
CID 142062128
(4S)-4-ethyl-2,5-dimethylhex-2-ene
CID 59076460
(2R,3R,4E)-hepta-4,6-diene-2,3-diol
CID 156581778

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methylhepta-1,3-diene?
The IUPAC name of 5-ethyl-6-methylhepta-1,3-diene (CID 91204773) is 5-ethyl-6-methylhepta-1,3-diene.
What is the SMILES notation for 5-ethyl-6-methylhepta-1,3-diene?
The canonical SMILES for 5-ethyl-6-methylhepta-1,3-diene is C=CC=CC(CC)C(C)C.
What is the InChIKey of 5-ethyl-6-methylhepta-1,3-diene?
The InChIKey is JGXMCTIDTCNTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-5-7-8-10(6-2)9(3)4/h5,7-10H,1,6H2,2-4H3.
What are the key properties of 5-ethyl-6-methylhepta-1,3-diene?
5-ethyl-6-methylhepta-1,3-diene has a molecular weight of 138.25 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methylhepta-1,3-diene is sourced from PubChem (CID 91204773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).