(3E)-4,5-diethyl-3-methylocta-3,5-diene

C13H24 — CID 177392268

IUPAC(3E)-4,5-diethyl-3-methylocta-3,5-diene
SMILESCCC=C(CC)/C(CC)=C(\C)CC
InChIInChI=1S/C13H24/c1-6-10-12(8-3)13(9-4)11(5)7-2/h10H,6-9H2,1-5H3/b12-10?,13-11+
InChIKeyLQFPAWLSILFUHI-SQBYBMFESA-N
MW180.33 g/mol
LogP4.87
Rot. Bonds5

About (3E)-4,5-diethyl-3-methylocta-3,5-diene

(3E)-4,5-diethyl-3-methylocta-3,5-diene (PubChem CID 177392268) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is (3E)-4,5-diethyl-3-methylocta-3,5-diene.

Molecular Properties

Compound Name(3E)-4,5-diethyl-3-methylocta-3,5-diene
PubChem CID177392268
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name(3E)-4,5-diethyl-3-methylocta-3,5-diene
SMILESCCC=C(CC)/C(CC)=C(\C)CC
InChIInChI=1S/C13H24/c1-6-10-12(8-3)13(9-4)11(5)7-2/h10H,6-9H2,1-5H3/b12-10?,13-11+
InChIKeyLQFPAWLSILFUHI-SQBYBMFESA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.87
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

(3E,5E)-4,5-diethylocta-3,5-diene
CID 5368963
(3Z,5E)-4,5-diethyl-3-iodoocta-3,5-diene
CID 15329333
(Z,E)-3-ethyl-N-(methylideneamino)hex-3-en-2-imine
CID 123457704
(E)-2-[(Z)-pent-2-en-3-yl]pent-2-en-1-amine
CID 89032252
4-ethylhept-4-en-3-imine
CID 15439670
(Z)-2-ethyl-N-methylpent-2-enamide
CID 177053955
N-butan-2-yl-3-ethylhex-3-en-2-imine
CID 123227032
(3Z,5E)-4,5-diethyl-3-iodo-6-methylocta-3,5-diene
CID 102180711
methane;(Z)-3-methylhex-3-ene
CID 168892321
methane;(E)-3-methylhex-3-ene
CID 157350431
(3E)-3-propylideneheptane-2,5-dione
CID 134924254
ethyl 4-[(3Z,5E)-4,5-diethylocta-3,5-dien-3-yl]benzoate
CID 10969057

Frequently Asked Questions

What is the IUPAC name of (3E)-4,5-diethyl-3-methylocta-3,5-diene?
The IUPAC name of (3E)-4,5-diethyl-3-methylocta-3,5-diene (CID 177392268) is (3E)-4,5-diethyl-3-methylocta-3,5-diene.
What is the SMILES notation for (3E)-4,5-diethyl-3-methylocta-3,5-diene?
The canonical SMILES for (3E)-4,5-diethyl-3-methylocta-3,5-diene is CCC=C(CC)/C(CC)=C(\C)CC.
What is the InChIKey of (3E)-4,5-diethyl-3-methylocta-3,5-diene?
The InChIKey is LQFPAWLSILFUHI-SQBYBMFESA-N. The full InChI is InChI=1S/C13H24/c1-6-10-12(8-3)13(9-4)11(5)7-2/h10H,6-9H2,1-5H3/b12-10?,13-11+.
What are the key properties of (3E)-4,5-diethyl-3-methylocta-3,5-diene?
(3E)-4,5-diethyl-3-methylocta-3,5-diene has a molecular weight of 180.33 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4,5-diethyl-3-methylocta-3,5-diene is sourced from PubChem (CID 177392268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).