(4Z)-3,5-diethyl-6-methylocta-1,4-diene

C13H23+ — CID 123965965

IUPAC(4Z)-3,5-diethyl-6-methylocta-1,4-diene
SMILESC=[C+]C(/C=C(/CC)C(C)CC)CC
InChIInChI=1S/C13H23/c1-6-11(5)13(9-4)10-12(7-2)8-3/h10-12H,2,6,8-9H2,1,3-5H3/q+1/b13-10-
InChIKeyDXMKAHZBKOWQCG-RAXLEYEMSA-N
MW179.33 g/mol
LogP4.38
Rot. Bonds6

About (4Z)-3,5-diethyl-6-methylocta-1,4-diene

(4Z)-3,5-diethyl-6-methylocta-1,4-diene (PubChem CID 123965965) has the molecular formula C13H23+ and a molecular weight of 179.33 g/mol. Its IUPAC name is (4Z)-3,5-diethyl-6-methylocta-1,4-diene.

Molecular Properties

Compound Name(4Z)-3,5-diethyl-6-methylocta-1,4-diene
PubChem CID123965965
Molecular FormulaC13H23+
Molecular Weight179.33 g/mol
Exact Mass179.18
IUPAC Name(4Z)-3,5-diethyl-6-methylocta-1,4-diene
SMILESC=[C+]C(/C=C(/CC)C(C)CC)CC
InChIInChI=1S/C13H23/c1-6-11(5)13(9-4)10-12(7-2)8-3/h10-12H,2,6,8-9H2,1,3-5H3/q+1/b13-10-
InChIKeyDXMKAHZBKOWQCG-RAXLEYEMSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.33
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-2-ethyl-3-methylpent-1-enyl]-1-methylhydrazine
CID 146261368
2-ethyl-4-methylpent-2-en-1-ol
CID 79323762
(3R)-3-methylpent-1-en-2-ol
CID 89203555
(3E)-4-ethenyl-3-ethyl-5-methylhepta-1,3-diene
CID 143936258
4-methylhex-1-en-3-one
CID 15724302
(Z)-2,4-dimethylhex-3-ene
CID 5463169
2,4-dimethyl-3-methylidenehexane
CID 90734956
2,3-dimethylpent-1-ene;ethane
CID 143286891
4-methylhexane-3-thione
CID 145030562
(Z)-5-methyl-4-propylhept-3-ene
CID 145358469
5-ethyl-3,6-dimethylhepta-1,4-diene
CID 123520115
4-ethylidene-3-methyloctane
CID 90798217

Frequently Asked Questions

What is the IUPAC name of (4Z)-3,5-diethyl-6-methylocta-1,4-diene?
The IUPAC name of (4Z)-3,5-diethyl-6-methylocta-1,4-diene (CID 123965965) is (4Z)-3,5-diethyl-6-methylocta-1,4-diene.
What is the SMILES notation for (4Z)-3,5-diethyl-6-methylocta-1,4-diene?
The canonical SMILES for (4Z)-3,5-diethyl-6-methylocta-1,4-diene is C=[C+]C(/C=C(/CC)C(C)CC)CC.
What is the InChIKey of (4Z)-3,5-diethyl-6-methylocta-1,4-diene?
The InChIKey is DXMKAHZBKOWQCG-RAXLEYEMSA-N. The full InChI is InChI=1S/C13H23/c1-6-11(5)13(9-4)10-12(7-2)8-3/h10-12H,2,6,8-9H2,1,3-5H3/q+1/b13-10-.
What are the key properties of (4Z)-3,5-diethyl-6-methylocta-1,4-diene?
(4Z)-3,5-diethyl-6-methylocta-1,4-diene has a molecular weight of 179.33 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3,5-diethyl-6-methylocta-1,4-diene is sourced from PubChem (CID 123965965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).