2,5-dimethyl-5-propyloct-1-ene;ethane;1-ethyl-2-methylbenzene;2-methylquinoxaline

C33H52N2 — CID 144938292

IUPAC2,5-dimethyl-5-propyloct-1-ene;ethane;1-ethyl-2-methylbenzene;2-methylquinoxaline
SMILESC=C(C)CCC(C)(CCC)CCC.CC.CCc1ccccc1C.Cc1cnc2ccccc2n1
InChIInChI=1S/C13H26.C9H8N2.C9H12.C2H6/c1-6-9-13(5,10-7-2)11-8-12(3)4;1-7-6-10-8-4-2-3-5-9(8)11-7;1-3-9-7-5-4-6-8(9)2;1-2/h3,6-11H2,1-2,4-5H3;2-6H,1H3;4-7H,3H2,1-2H3;1-2H3
InChIKeyDYZLHISIIMGPFD-UHFFFAOYSA-N
MW476.79 g/mol
LogP10.47
Rot. Bonds8

About 2,5-dimethyl-5-propyloct-1-ene;ethane;1-ethyl-2-methylbenzene;2-methylquinoxaline

2,5-dimethyl-5-propyloct-1-ene;ethane;1-ethyl-2-methylbenzene;2-methylquinoxaline (PubChem CID 144938292) has the molecular formula C33H52N2 and a molecular weight of 476.79 g/mol. Its IUPAC name is 2,5-dimethyl-5-propyloct-1-ene;ethane;1-ethyl-2-methylbenzene;2-methylquinoxaline.

Molecular Properties

Compound Name2,5-dimethyl-5-propyloct-1-ene;ethane;1-ethyl-2-methylbenzene;2-methylquinoxaline
PubChem CID144938292
Molecular FormulaC33H52N2
Molecular Weight476.79 g/mol
Exact Mass476.41
IUPAC Name2,5-dimethyl-5-propyloct-1-ene;ethane;1-ethyl-2-methylbenzene;2-methylquinoxaline
SMILESC=C(C)CCC(C)(CCC)CCC.CC.CCc1ccccc1C.Cc1cnc2ccccc2n1
InChIInChI=1S/C13H26.C9H8N2.C9H12.C2H6/c1-6-9-13(5,10-7-2)11-8-12(3)4;1-7-6-10-8-4-2-3-5-9(8)11-7;1-3-9-7-5-4-6-8(9)2;1-2/h3,6-11H2,1-2,4-5H3;2-6H,1H3;4-7H,3H2,1-2H3;1-2H3
InChIKeyDYZLHISIIMGPFD-UHFFFAOYSA-N
XLogP10.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.79
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,5-dimethyl-5-propyloct-1-ene;ethane;1-ethyl-2-methylbenzene;2-methylquinoxaline?
The IUPAC name of 2,5-dimethyl-5-propyloct-1-ene;ethane;1-ethyl-2-methylbenzene;2-methylquinoxaline (CID 144938292) is 2,5-dimethyl-5-propyloct-1-ene;ethane;1-ethyl-2-methylbenzene;2-methylquinoxaline.
What is the SMILES notation for 2,5-dimethyl-5-propyloct-1-ene;ethane;1-ethyl-2-methylbenzene;2-methylquinoxaline?
The canonical SMILES for 2,5-dimethyl-5-propyloct-1-ene;ethane;1-ethyl-2-methylbenzene;2-methylquinoxaline is C=C(C)CCC(C)(CCC)CCC.CC.CCc1ccccc1C.Cc1cnc2ccccc2n1.
What is the InChIKey of 2,5-dimethyl-5-propyloct-1-ene;ethane;1-ethyl-2-methylbenzene;2-methylquinoxaline?
The InChIKey is DYZLHISIIMGPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26.C9H8N2.C9H12.C2H6/c1-6-9-13(5,10-7-2)11-8-12(3)4;1-7-6-10-8-4-2-3-5-9(8)11-7;1-3-9-7-5-4-6-8(9)2;1-2/h3,6-11H2,1-2,4-5H3;2-6H,1H3;4-7H,3H2,1-2H3;1-2H3.
What are the key properties of 2,5-dimethyl-5-propyloct-1-ene;ethane;1-ethyl-2-methylbenzene;2-methylquinoxaline?
2,5-dimethyl-5-propyloct-1-ene;ethane;1-ethyl-2-methylbenzene;2-methylquinoxaline has a molecular weight of 476.79 g/mol, XLogP of 10.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-5-propyloct-1-ene;ethane;1-ethyl-2-methylbenzene;2-methylquinoxaline is sourced from PubChem (CID 144938292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).