8-ethyl-3,3,4,7,8-pentamethyldec-4-ene

C17H34 — CID 123972769

IUPAC8-ethyl-3,3,4,7,8-pentamethyldec-4-ene
SMILESCCC(C)(C)C(C)=CCC(C)C(C)(CC)CC
InChIInChI=1S/C17H34/c1-9-16(6,7)14(4)12-13-15(5)17(8,10-2)11-3/h12,15H,9-11,13H2,1-8H3
InChIKeyIYKXDLKJYVVSLZ-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.22
Rot. Bonds7

About 8-ethyl-3,3,4,7,8-pentamethyldec-4-ene

8-ethyl-3,3,4,7,8-pentamethyldec-4-ene (PubChem CID 123972769) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 8-ethyl-3,3,4,7,8-pentamethyldec-4-ene.

Molecular Properties

Compound Name8-ethyl-3,3,4,7,8-pentamethyldec-4-ene
PubChem CID123972769
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name8-ethyl-3,3,4,7,8-pentamethyldec-4-ene
SMILESCCC(C)(C)C(C)=CCC(C)C(C)(CC)CC
InChIInChI=1S/C17H34/c1-9-16(6,7)14(4)12-13-15(5)17(8,10-2)11-3/h12,15H,9-11,13H2,1-8H3
InChIKeyIYKXDLKJYVVSLZ-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3,3,4,7,8-pentamethyldec-4-ene?
The IUPAC name of 8-ethyl-3,3,4,7,8-pentamethyldec-4-ene (CID 123972769) is 8-ethyl-3,3,4,7,8-pentamethyldec-4-ene.
What is the SMILES notation for 8-ethyl-3,3,4,7,8-pentamethyldec-4-ene?
The canonical SMILES for 8-ethyl-3,3,4,7,8-pentamethyldec-4-ene is CCC(C)(C)C(C)=CCC(C)C(C)(CC)CC.
What is the InChIKey of 8-ethyl-3,3,4,7,8-pentamethyldec-4-ene?
The InChIKey is IYKXDLKJYVVSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-9-16(6,7)14(4)12-13-15(5)17(8,10-2)11-3/h12,15H,9-11,13H2,1-8H3.
What are the key properties of 8-ethyl-3,3,4,7,8-pentamethyldec-4-ene?
8-ethyl-3,3,4,7,8-pentamethyldec-4-ene has a molecular weight of 238.46 g/mol, XLogP of 6.22, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3,3,4,7,8-pentamethyldec-4-ene is sourced from PubChem (CID 123972769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).