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

C16H34 — CID 123821034

IUPAC6-ethyl-2-methyl-4-pentan-3-yloctane
SMILESCCC(CC)CC(CC(C)C)C(CC)CC
InChIInChI=1S/C16H34/c1-7-14(8-2)12-16(11-13(5)6)15(9-3)10-4/h13-16H,7-12H2,1-6H3
InChIKeyRXUGHYJWKWERTK-UHFFFAOYSA-N
MW226.45 g/mol
LogP5.91
Rot. Bonds9

About 6-ethyl-2-methyl-4-pentan-3-yloctane

6-ethyl-2-methyl-4-pentan-3-yloctane (PubChem CID 123821034) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 6-ethyl-2-methyl-4-pentan-3-yloctane.

Molecular Properties

Compound Name6-ethyl-2-methyl-4-pentan-3-yloctane
PubChem CID123821034
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name6-ethyl-2-methyl-4-pentan-3-yloctane
SMILESCCC(CC)CC(CC(C)C)C(CC)CC
InChIInChI=1S/C16H34/c1-7-14(8-2)12-16(11-13(5)6)15(9-3)10-4/h13-16H,7-12H2,1-6H3
InChIKeyRXUGHYJWKWERTK-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

3,7-diethyl-5-pentan-3-ylnonane
CID 173210020
bis(4-ethyl-2-methylhexane);2-methylbutane
CID 161441490
3,5-diethyl-N-methylheptan-2-amine
CID 82928045
5-ethyl-2,3,4,7-tetramethyloctane
CID 57492474
bis(3-ethyl-2,5-dimethylhexane);2,3,5-trimethylhexane
CID 158124922
3,5-diethylheptan-2-yl-methyl-propyloxidanium
CID 90803998
3,5-diethyl-N-propylheptan-2-amine
CID 82928149
5-ethyl-2-methyl-4-pentan-3-yloctane
CID 123673781
3,5-diethyl-2-methyloctane
CID 57491216
N,3-diethyl-5-methylhexan-2-amine
CID 54129064
ethane;4-ethyl-2-methylhexane;propane;bis(prop-1-ene)
CID 143418802
(5S)-3-ethyl-5-methylheptane
CID 59094044

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-4-pentan-3-yloctane?
The IUPAC name of 6-ethyl-2-methyl-4-pentan-3-yloctane (CID 123821034) is 6-ethyl-2-methyl-4-pentan-3-yloctane.
What is the SMILES notation for 6-ethyl-2-methyl-4-pentan-3-yloctane?
The canonical SMILES for 6-ethyl-2-methyl-4-pentan-3-yloctane is CCC(CC)CC(CC(C)C)C(CC)CC.
What is the InChIKey of 6-ethyl-2-methyl-4-pentan-3-yloctane?
The InChIKey is RXUGHYJWKWERTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-7-14(8-2)12-16(11-13(5)6)15(9-3)10-4/h13-16H,7-12H2,1-6H3.
What are the key properties of 6-ethyl-2-methyl-4-pentan-3-yloctane?
6-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 6-ethyl-2-methyl-4-pentan-3-yloctane is sourced from PubChem (CID 123821034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).