3,5-diethyloct-1-ene;ethane

C16H36 — CID 177204594

IUPAC3,5-diethyloct-1-ene;ethane
SMILESC=CC(CC)CC(CC)CCC.CC.CC
InChIInChI=1S/C12H24.2C2H6/c1-5-9-12(8-4)10-11(6-2)7-3;2*1-2/h6,11-12H,2,5,7-10H2,1,3-4H3;2*1-2H3
InChIKeyUQODVLOAJWONQP-UHFFFAOYSA-N
MW228.46 g/mol
LogP6.47
Rot. Bonds7

About 3,5-diethyloct-1-ene;ethane

3,5-diethyloct-1-ene;ethane (PubChem CID 177204594) has the molecular formula C16H36 and a molecular weight of 228.46 g/mol. Its IUPAC name is 3,5-diethyloct-1-ene;ethane.

Molecular Properties

Compound Name3,5-diethyloct-1-ene;ethane
PubChem CID177204594
Molecular FormulaC16H36
Molecular Weight228.46 g/mol
Exact Mass228.28
IUPAC Name3,5-diethyloct-1-ene;ethane
SMILESC=CC(CC)CC(CC)CCC.CC.CC
InChIInChI=1S/C12H24.2C2H6/c1-5-9-12(8-4)10-11(6-2)7-3;2*1-2/h6,11-12H,2,5,7-10H2,1,3-4H3;2*1-2H3
InChIKeyUQODVLOAJWONQP-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.46
LogP ≤ 56.47
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

3-ethylhept-1-ene
CID 12923943
4,9-diethyl-6-(2-ethylpentyl)dodecane
CID 59445443
5-ethenyl-3-ethylocta-1,7-diene
CID 150052452
(3R)-3-ethyloct-1-ene
CID 50898077
4-ethyl-2-methylheptane;methane
CID 160575103
4-ethylheptane;methane
CID 143165373
3-ethylnon-1-en-5-yloxysilane
CID 173139684
5,9-diethyl-7-(2-ethylpentyl)tridecane
CID 170533070
(3R)-3-ethylpent-4-en-1-amine
CID 122576147
ethane;9-ethenylheptadecane;octane
CID 168985515
(6S)-6-ethyl-2,4-dimethylnonane
CID 144657446
3,5-diethyl-2-methyloctane
CID 57491216

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyloct-1-ene;ethane?
The IUPAC name of 3,5-diethyloct-1-ene;ethane (CID 177204594) is 3,5-diethyloct-1-ene;ethane.
What is the SMILES notation for 3,5-diethyloct-1-ene;ethane?
The canonical SMILES for 3,5-diethyloct-1-ene;ethane is C=CC(CC)CC(CC)CCC.CC.CC.
What is the InChIKey of 3,5-diethyloct-1-ene;ethane?
The InChIKey is UQODVLOAJWONQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24.2C2H6/c1-5-9-12(8-4)10-11(6-2)7-3;2*1-2/h6,11-12H,2,5,7-10H2,1,3-4H3;2*1-2H3.
What are the key properties of 3,5-diethyloct-1-ene;ethane?
3,5-diethyloct-1-ene;ethane has a molecular weight of 228.46 g/mol, XLogP of 6.47, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyloct-1-ene;ethane is sourced from PubChem (CID 177204594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).