4-ethyl-5,6-dimethyloct-1-ene

C12H24 — CID 123882592

IUPAC4-ethyl-5,6-dimethyloct-1-ene
SMILESC=CCC(CC)C(C)C(C)CC
InChIInChI=1S/C12H24/c1-6-9-12(8-3)11(5)10(4)7-2/h6,10-12H,1,7-9H2,2-5H3
InChIKeyOTHNYTVEECMQHP-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.27
Rot. Bonds6

About 4-ethyl-5,6-dimethyloct-1-ene

4-ethyl-5,6-dimethyloct-1-ene (PubChem CID 123882592) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 4-ethyl-5,6-dimethyloct-1-ene.

Molecular Properties

Compound Name4-ethyl-5,6-dimethyloct-1-ene
PubChem CID123882592
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name4-ethyl-5,6-dimethyloct-1-ene
SMILESC=CCC(CC)C(C)C(C)CC
InChIInChI=1S/C12H24/c1-6-9-12(8-3)11(5)10(4)7-2/h6,10-12H,1,7-9H2,2-5H3
InChIKeyOTHNYTVEECMQHP-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.27
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

4,5,6-trimethyloct-1-ene
CID 91354249
4,5-diethylhept-1-ene
CID 123746760
5-ethyl-4-methylnon-1-ene
CID 22027489
(4S,5S)-5-methyl-4-propan-2-ylhept-1-ene
CID 59039366
4-propan-2-ylhepta-1,6-diene
CID 14140894
4-butan-2-ylheptadec-1-ene
CID 19792906
5-ethyl-6-methyloct-1-ene
CID 123326070
(4R)-3-ethyl-4-methylhexane
CID 59954491
3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999
3,5-diethyl-4,6,7-trimethylnonane
CID 123912873
2,3-dimethylpentane;ethane;2-methylpropane;prop-1-ene
CID 143365587
sodium;hydride;4-methylhex-1-ene
CID 173048656

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5,6-dimethyloct-1-ene?
The IUPAC name of 4-ethyl-5,6-dimethyloct-1-ene (CID 123882592) is 4-ethyl-5,6-dimethyloct-1-ene.
What is the SMILES notation for 4-ethyl-5,6-dimethyloct-1-ene?
The canonical SMILES for 4-ethyl-5,6-dimethyloct-1-ene is C=CCC(CC)C(C)C(C)CC.
What is the InChIKey of 4-ethyl-5,6-dimethyloct-1-ene?
The InChIKey is OTHNYTVEECMQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-6-9-12(8-3)11(5)10(4)7-2/h6,10-12H,1,7-9H2,2-5H3.
What are the key properties of 4-ethyl-5,6-dimethyloct-1-ene?
4-ethyl-5,6-dimethyloct-1-ene has a molecular weight of 168.32 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5,6-dimethyloct-1-ene is sourced from PubChem (CID 123882592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).