4-ethyl-2,8-dimethyl-5-propylnonane

C16H34 — CID 143343075

IUPAC4-ethyl-2,8-dimethyl-5-propylnonane
SMILESCCCC(CCC(C)C)C(CC)CC(C)C
InChIInChI=1S/C16H34/c1-7-9-16(11-10-13(3)4)15(8-2)12-14(5)6/h13-16H,7-12H2,1-6H3
InChIKeyJXWPGZXFLWSVSR-UHFFFAOYSA-N
MW226.45 g/mol
LogP5.91
Rot. Bonds9

About 4-ethyl-2,8-dimethyl-5-propylnonane

4-ethyl-2,8-dimethyl-5-propylnonane (PubChem CID 143343075) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 4-ethyl-2,8-dimethyl-5-propylnonane.

Molecular Properties

Compound Name4-ethyl-2,8-dimethyl-5-propylnonane
PubChem CID143343075
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name4-ethyl-2,8-dimethyl-5-propylnonane
SMILESCCCC(CCC(C)C)C(CC)CC(C)C
InChIInChI=1S/C16H34/c1-7-9-16(11-10-13(3)4)15(8-2)12-14(5)6/h13-16H,7-12H2,1-6H3
InChIKeyJXWPGZXFLWSVSR-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-ethyl-2,5-dimethylnonane
CID 54499682
5-ethyl-7-methyl-4-propyloct-1-yne
CID 123153903
7-ethyl-2,3,6,9-tetramethyl-4-propyldecane
CID 171102874
2-methyl-4-propan-2-ylheptane
CID 21201044
5-ethyl-2-methyl-4-pentan-3-yloctane
CID 123673781
2,9-dimethyl-5,6-bis(3-methylbutyl)decane
CID 139994880
2,5-dimethyl-4-propyloctane
CID 57491236
5-ethyl-2,6,7-trimethyldecane
CID 123648141
4,5-diethyloctane
CID 519254
4-methyl-10-(2-methylheptan-4-yl)heptadecane
CID 123244941
7-(2-methylpropyl)-6-pentyltridecane
CID 54089544
2,2,3,3,4,7-hexamethyl-5-propyloctane
CID 123420918

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,8-dimethyl-5-propylnonane?
The IUPAC name of 4-ethyl-2,8-dimethyl-5-propylnonane (CID 143343075) is 4-ethyl-2,8-dimethyl-5-propylnonane.
What is the SMILES notation for 4-ethyl-2,8-dimethyl-5-propylnonane?
The canonical SMILES for 4-ethyl-2,8-dimethyl-5-propylnonane is CCCC(CCC(C)C)C(CC)CC(C)C.
What is the InChIKey of 4-ethyl-2,8-dimethyl-5-propylnonane?
The InChIKey is JXWPGZXFLWSVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-7-9-16(11-10-13(3)4)15(8-2)12-14(5)6/h13-16H,7-12H2,1-6H3.
What are the key properties of 4-ethyl-2,8-dimethyl-5-propylnonane?
4-ethyl-2,8-dimethyl-5-propylnonane has a molecular weight of 226.45 g/mol, XLogP of 5.91, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,8-dimethyl-5-propylnonane is sourced from PubChem (CID 143343075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).