5-hexan-3-yl-2,3,4,6,8-pentamethylnonane

C20H42 — CID 123283653

IUPAC5-hexan-3-yl-2,3,4,6,8-pentamethylnonane
SMILESCCCC(CC)C(C(C)CC(C)C)C(C)C(C)C(C)C
InChIInChI=1S/C20H42/c1-10-12-19(11-2)20(16(7)13-14(3)4)18(9)17(8)15(5)6/h14-20H,10-13H2,1-9H3
InChIKeyIMZXRBQSHWJDQO-UHFFFAOYSA-N
MW282.56 g/mol
LogP7.04
Rot. Bonds10

About 5-hexan-3-yl-2,3,4,6,8-pentamethylnonane

5-hexan-3-yl-2,3,4,6,8-pentamethylnonane (PubChem CID 123283653) has the molecular formula C20H42 and a molecular weight of 282.56 g/mol. Its IUPAC name is 5-hexan-3-yl-2,3,4,6,8-pentamethylnonane.

Molecular Properties

Compound Name5-hexan-3-yl-2,3,4,6,8-pentamethylnonane
PubChem CID123283653
Molecular FormulaC20H42
Molecular Weight282.56 g/mol
Exact Mass282.33
IUPAC Name5-hexan-3-yl-2,3,4,6,8-pentamethylnonane
SMILESCCCC(CC)C(C(C)CC(C)C)C(C)C(C)C(C)C
InChIInChI=1S/C20H42/c1-10-12-19(11-2)20(16(7)13-14(3)4)18(9)17(8)15(5)6/h14-20H,10-13H2,1-9H3
InChIKeyIMZXRBQSHWJDQO-UHFFFAOYSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.56
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-hexan-3-yl-2,3,4,6,8-pentamethylnonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-ethyl-2,3,6,9-tetramethyl-4-propyldecane
CID 171102874
4-ethyl-2-methyl-3-propan-2-ylheptane
CID 57491433
5-ethyl-2,3,4,7-tetramethyloctane
CID 57492474
ethane;4-ethyl-2,3-dimethylheptane
CID 142330758
4,5-diethyloctane
CID 519254
bis(3-ethyl-2,5-dimethylhexane);2,3,5-trimethylhexane
CID 158124922
6-butan-2-yl-2,3,4,5,7-pentamethyldecane
CID 123624469
2-methyl-4-propan-2-ylheptane
CID 21201044
(3R)-3-ethyl-2-methylhexane
CID 59954424
5-ethyl-2-methyl-4-pentan-3-yloctane
CID 123673781
3,4-dimethylhexane;3-ethyl-2-methylhexane;2,3,4-trimethylheptane
CID 153382410
2,5-dimethyl-4-propyloctane
CID 57491236

Frequently Asked Questions

What is the IUPAC name of 5-hexan-3-yl-2,3,4,6,8-pentamethylnonane?
The IUPAC name of 5-hexan-3-yl-2,3,4,6,8-pentamethylnonane (CID 123283653) is 5-hexan-3-yl-2,3,4,6,8-pentamethylnonane.
What is the SMILES notation for 5-hexan-3-yl-2,3,4,6,8-pentamethylnonane?
The canonical SMILES for 5-hexan-3-yl-2,3,4,6,8-pentamethylnonane is CCCC(CC)C(C(C)CC(C)C)C(C)C(C)C(C)C.
What is the InChIKey of 5-hexan-3-yl-2,3,4,6,8-pentamethylnonane?
The InChIKey is IMZXRBQSHWJDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42/c1-10-12-19(11-2)20(16(7)13-14(3)4)18(9)17(8)15(5)6/h14-20H,10-13H2,1-9H3.
What are the key properties of 5-hexan-3-yl-2,3,4,6,8-pentamethylnonane?
5-hexan-3-yl-2,3,4,6,8-pentamethylnonane has a molecular weight of 282.56 g/mol, XLogP of 7.04, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexan-3-yl-2,3,4,6,8-pentamethylnonane is sourced from PubChem (CID 123283653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).