5-ethyl-2-methyl-4-pentan-3-yloctane

C16H34 — CID 123673781

IUPAC5-ethyl-2-methyl-4-pentan-3-yloctane
SMILESCCCC(CC)C(CC(C)C)C(CC)CC
InChIInChI=1S/C16H34/c1-7-11-15(10-4)16(12-13(5)6)14(8-2)9-3/h13-16H,7-12H2,1-6H3
InChIKeyAJQGRTVHHYSLIP-UHFFFAOYSA-N
MW226.45 g/mol
LogP5.91
Rot. Bonds9

About 5-ethyl-2-methyl-4-pentan-3-yloctane

5-ethyl-2-methyl-4-pentan-3-yloctane (PubChem CID 123673781) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 5-ethyl-2-methyl-4-pentan-3-yloctane.

Molecular Properties

Compound Name5-ethyl-2-methyl-4-pentan-3-yloctane
PubChem CID123673781
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name5-ethyl-2-methyl-4-pentan-3-yloctane
SMILESCCCC(CC)C(CC(C)C)C(CC)CC
InChIInChI=1S/C16H34/c1-7-11-15(10-4)16(12-13(5)6)14(8-2)9-3/h13-16H,7-12H2,1-6H3
InChIKeyAJQGRTVHHYSLIP-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

3,4,5-triethyloctane
CID 57492611
4,5,6,7-tetraethyldecane
CID 101052128
4-ethyl-2,8-dimethyl-5-propylnonane
CID 143343075
5-hexan-3-yl-2,7,8-trimethyl-9-methylidene-4-propylundecane
CID 91302157
3,4-diethylheptane-2-thiol
CID 174326540
4,5-diethyloctane
CID 519254
2-methyl-4-propan-2-ylheptane
CID 21201044
(3R)-3-ethyl-2-methylhexane
CID 59954424
2,5-dimethyl-4-propyloctane
CID 57491236
7-ethyl-2,3,6,9-tetramethyl-4-propyldecane
CID 171102874
5-ethyl-7-methyl-4-propyloct-1-yne
CID 123153903
4,5,7-triethyl-3-methyl-6-propyldecane
CID 91308748

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-4-pentan-3-yloctane?
The IUPAC name of 5-ethyl-2-methyl-4-pentan-3-yloctane (CID 123673781) is 5-ethyl-2-methyl-4-pentan-3-yloctane.
What is the SMILES notation for 5-ethyl-2-methyl-4-pentan-3-yloctane?
The canonical SMILES for 5-ethyl-2-methyl-4-pentan-3-yloctane is CCCC(CC)C(CC(C)C)C(CC)CC.
What is the InChIKey of 5-ethyl-2-methyl-4-pentan-3-yloctane?
The InChIKey is AJQGRTVHHYSLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-7-11-15(10-4)16(12-13(5)6)14(8-2)9-3/h13-16H,7-12H2,1-6H3.
What are the key properties of 5-ethyl-2-methyl-4-pentan-3-yloctane?
5-ethyl-2-methyl-4-pentan-3-yloctane 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 5-ethyl-2-methyl-4-pentan-3-yloctane is sourced from PubChem (CID 123673781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).