3-ethyl-5,6-dimethyloct-2-ene

C12H24 — CID 123995420

IUPAC3-ethyl-5,6-dimethyloct-2-ene
SMILESCC=C(CC)CC(C)C(C)CC
InChIInChI=1S/C12H24/c1-6-10(4)11(5)9-12(7-2)8-3/h7,10-11H,6,8-9H2,1-5H3
InChIKeyGZEIMPMCODLNGA-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.41
Rot. Bonds5

About 3-ethyl-5,6-dimethyloct-2-ene

3-ethyl-5,6-dimethyloct-2-ene (PubChem CID 123995420) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 3-ethyl-5,6-dimethyloct-2-ene.

Molecular Properties

Compound Name3-ethyl-5,6-dimethyloct-2-ene
PubChem CID123995420
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name3-ethyl-5,6-dimethyloct-2-ene
SMILESCC=C(CC)CC(C)C(C)CC
InChIInChI=1S/C12H24/c1-6-10(4)11(5)9-12(7-2)8-3/h7,10-11H,6,8-9H2,1-5H3
InChIKeyGZEIMPMCODLNGA-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.41
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-ethyl-5-methylhept-2-ene
CID 90962982
ethane;(Z)-3-ethyl-5-methylhex-2-ene;methanamine
CID 143325011
3-ethyl-5,6,6-trimethyloct-2-ene
CID 123986789
4-ethyl-2,7,8-trimethyldec-3-ene
CID 123995060
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
3-ethyl-5-propan-2-yloxypent-2-ene
CID 123261008
5-ethyl-2,4-dimethylhept-1-ene
CID 90728218
CID 91437014
CID 91437014
4-ethylidene-2,6-dimethylheptane
CID 102206987
5-ethyl-7-methylnona-2,4-diene
CID 123846326
3,6,7-trimethylnon-2-ene
CID 123488713
3-methyl-6-methylideneoctan-4-ol
CID 66045779

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,6-dimethyloct-2-ene?
The IUPAC name of 3-ethyl-5,6-dimethyloct-2-ene (CID 123995420) is 3-ethyl-5,6-dimethyloct-2-ene.
What is the SMILES notation for 3-ethyl-5,6-dimethyloct-2-ene?
The canonical SMILES for 3-ethyl-5,6-dimethyloct-2-ene is CC=C(CC)CC(C)C(C)CC.
What is the InChIKey of 3-ethyl-5,6-dimethyloct-2-ene?
The InChIKey is GZEIMPMCODLNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-6-10(4)11(5)9-12(7-2)8-3/h7,10-11H,6,8-9H2,1-5H3.
What are the key properties of 3-ethyl-5,6-dimethyloct-2-ene?
3-ethyl-5,6-dimethyloct-2-ene has a molecular weight of 168.32 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,6-dimethyloct-2-ene is sourced from PubChem (CID 123995420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).