4,6-diethyl-5-methyloct-3-ene

C13H26 — CID 123405562

IUPAC4,6-diethyl-5-methyloct-3-ene
SMILESCCC=C(CC)C(C)C(CC)CC
InChIInChI=1S/C13H26/c1-6-10-13(9-4)11(5)12(7-2)8-3/h10-12H,6-9H2,1-5H3
InChIKeyPVHRRURUWBZJQN-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.81
Rot. Bonds6

About 4,6-diethyl-5-methyloct-3-ene

4,6-diethyl-5-methyloct-3-ene (PubChem CID 123405562) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 4,6-diethyl-5-methyloct-3-ene.

Molecular Properties

Compound Name4,6-diethyl-5-methyloct-3-ene
PubChem CID123405562
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name4,6-diethyl-5-methyloct-3-ene
SMILESCCC=C(CC)C(C)C(CC)CC
InChIInChI=1S/C13H26/c1-6-10-13(9-4)11(5)12(7-2)8-3/h10-12H,6-9H2,1-5H3
InChIKeyPVHRRURUWBZJQN-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.81
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

2-hex-3-en-3-ylpropanedioic acid
CID 150181024
[(E)-5-ethyl-4-methyloct-5-en-2-yl]phosphane
CID 155275044
(1-acetyloxy-2-ethylpent-2-enyl) acetate
CID 123713583
(Z)-5-methyl-4-propylhept-3-ene
CID 145358469
5,7-diethyl-N,N,6,9,9-pentamethyldodeca-1,4-dien-1-amine
CID 123564735
(Z)-4,5-dimethylhept-3-ene
CID 142511472
tri[(Z)-hex-3-en-3-yl)]silane
CID 91826063
(3E,5E)-4,5-diethylocta-3,5-diene
CID 5368963
(2E)-2-ethyl-6-methylhepta-2,5-diene-1,1-diol
CID 88527000
2,2-dimethylpropane;(Z)-3-methylhex-3-ene;2-methylpropane
CID 170712386
4,5,6,8-tetramethyldec-3-ene
CID 123219035
(Z)-3-fluoro-2-methylhex-3-ene
CID 23563725

Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-5-methyloct-3-ene?
The IUPAC name of 4,6-diethyl-5-methyloct-3-ene (CID 123405562) is 4,6-diethyl-5-methyloct-3-ene.
What is the SMILES notation for 4,6-diethyl-5-methyloct-3-ene?
The canonical SMILES for 4,6-diethyl-5-methyloct-3-ene is CCC=C(CC)C(C)C(CC)CC.
What is the InChIKey of 4,6-diethyl-5-methyloct-3-ene?
The InChIKey is PVHRRURUWBZJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-6-10-13(9-4)11(5)12(7-2)8-3/h10-12H,6-9H2,1-5H3.
What are the key properties of 4,6-diethyl-5-methyloct-3-ene?
4,6-diethyl-5-methyloct-3-ene has a molecular weight of 182.35 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-5-methyloct-3-ene is sourced from PubChem (CID 123405562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).