6-ethenyl-3-ethyl-6-methyl-4-propylnonane

C17H34 — CID 90811879

IUPAC6-ethenyl-3-ethyl-6-methyl-4-propylnonane
SMILESC=CC(C)(CCC)CC(CCC)C(CC)CC
InChIInChI=1S/C17H34/c1-7-12-16(15(9-3)10-4)14-17(6,11-5)13-8-2/h11,15-16H,5,7-10,12-14H2,1-4,6H3
InChIKeyZAGRIXYKJAJTAA-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.22
Rot. Bonds10

About 6-ethenyl-3-ethyl-6-methyl-4-propylnonane

6-ethenyl-3-ethyl-6-methyl-4-propylnonane (PubChem CID 90811879) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 6-ethenyl-3-ethyl-6-methyl-4-propylnonane.

Molecular Properties

Compound Name6-ethenyl-3-ethyl-6-methyl-4-propylnonane
PubChem CID90811879
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name6-ethenyl-3-ethyl-6-methyl-4-propylnonane
SMILESC=CC(C)(CCC)CC(CCC)C(CC)CC
InChIInChI=1S/C17H34/c1-7-12-16(15(9-3)10-4)14-17(6,11-5)13-8-2/h11,15-16H,5,7-10,12-14H2,1-4,6H3
InChIKeyZAGRIXYKJAJTAA-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
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 6-ethenyl-3-ethyl-6-methyl-4-propylnonane?
The IUPAC name of 6-ethenyl-3-ethyl-6-methyl-4-propylnonane (CID 90811879) is 6-ethenyl-3-ethyl-6-methyl-4-propylnonane.
What is the SMILES notation for 6-ethenyl-3-ethyl-6-methyl-4-propylnonane?
The canonical SMILES for 6-ethenyl-3-ethyl-6-methyl-4-propylnonane is C=CC(C)(CCC)CC(CCC)C(CC)CC.
What is the InChIKey of 6-ethenyl-3-ethyl-6-methyl-4-propylnonane?
The InChIKey is ZAGRIXYKJAJTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-7-12-16(15(9-3)10-4)14-17(6,11-5)13-8-2/h11,15-16H,5,7-10,12-14H2,1-4,6H3.
What are the key properties of 6-ethenyl-3-ethyl-6-methyl-4-propylnonane?
6-ethenyl-3-ethyl-6-methyl-4-propylnonane has a molecular weight of 238.46 g/mol, XLogP of 6.22, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-3-ethyl-6-methyl-4-propylnonane is sourced from PubChem (CID 90811879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).