5-ethyl-2,3,4,6,7-pentamethyloct-2-ene

C15H30 — CID 123790324

IUPAC5-ethyl-2,3,4,6,7-pentamethyloct-2-ene
SMILESCCC(C(C)C(C)=C(C)C)C(C)C(C)C
InChIInChI=1S/C15H30/c1-9-15(13(7)11(4)5)14(8)12(6)10(2)3/h11,13-15H,9H2,1-8H3
InChIKeyHWHUABDAJOXOCC-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.30
Rot. Bonds5

About 5-ethyl-2,3,4,6,7-pentamethyloct-2-ene

5-ethyl-2,3,4,6,7-pentamethyloct-2-ene (PubChem CID 123790324) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 5-ethyl-2,3,4,6,7-pentamethyloct-2-ene.

Molecular Properties

Compound Name5-ethyl-2,3,4,6,7-pentamethyloct-2-ene
PubChem CID123790324
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name5-ethyl-2,3,4,6,7-pentamethyloct-2-ene
SMILESCCC(C(C)C(C)=C(C)C)C(C)C(C)C
InChIInChI=1S/C15H30/c1-9-15(13(7)11(4)5)14(8)12(6)10(2)3/h11,13-15H,9H2,1-8H3
InChIKeyHWHUABDAJOXOCC-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-ethyl-2,3,4,6,7-pentamethyloct-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-2,4-dimethylpentane;2,3,4-trimethylpentane
CID 158873092
4-ethyl-2,3,5,7-tetramethylnonane
CID 123258187
4-ethyl-2,3,5,7-tetramethyldecane
CID 123162737
4-ethyl-2,5-dimethylhexan-3-ol
CID 79298861
(4S)-2,3,4-trimethylhexane
CID 58359072
5-ethyl-2,3,4,6-tetramethylnonane
CID 90811278
3,4,5,7,8,10-hexamethyl-6-(3-methylbutan-2-yl)-9-methylidenedodec-4-ene
CID 123222087
1-(3-ethyl-4,5-dimethylhexan-2-yl)-3-methylcyclopropene
CID 123476959
4,5-diethyl-2,3-dimethylundecane
CID 90755621
2,3,4-trimethylpent-2-ene
CID 11270
3,6-diethyl-2,7-dimethyl-4,5-di(propan-2-yl)octane
CID 140704954
5-ethyl-2,3,4-trimethylheptane
CID 53428868

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3,4,6,7-pentamethyloct-2-ene?
The IUPAC name of 5-ethyl-2,3,4,6,7-pentamethyloct-2-ene (CID 123790324) is 5-ethyl-2,3,4,6,7-pentamethyloct-2-ene.
What is the SMILES notation for 5-ethyl-2,3,4,6,7-pentamethyloct-2-ene?
The canonical SMILES for 5-ethyl-2,3,4,6,7-pentamethyloct-2-ene is CCC(C(C)C(C)=C(C)C)C(C)C(C)C.
What is the InChIKey of 5-ethyl-2,3,4,6,7-pentamethyloct-2-ene?
The InChIKey is HWHUABDAJOXOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-9-15(13(7)11(4)5)14(8)12(6)10(2)3/h11,13-15H,9H2,1-8H3.
What are the key properties of 5-ethyl-2,3,4,6,7-pentamethyloct-2-ene?
5-ethyl-2,3,4,6,7-pentamethyloct-2-ene has a molecular weight of 210.40 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3,4,6,7-pentamethyloct-2-ene is sourced from PubChem (CID 123790324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).