(4S)-2,4-dimethylhexane

C8H18 — CID 22810193

IUPAC(4S)-2,4-dimethylhexane
SMILESCC[C@H](C)CC(C)C
InChIInChI=1S/C8H18/c1-5-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyHDGQICNBXPAKLR-QMMMGPOBSA-N
MW114.23 g/mol
LogP3.08
Rot. Bonds3

About (4S)-2,4-dimethylhexane

(4S)-2,4-dimethylhexane (PubChem CID 22810193) has the molecular formula C8H18 and a molecular weight of 114.23 g/mol. Its IUPAC name is (4S)-2,4-dimethylhexane.

Molecular Properties

Compound Name(4S)-2,4-dimethylhexane
PubChem CID22810193
Molecular FormulaC8H18
Molecular Weight114.23 g/mol
Exact Mass114.14
IUPAC Name(4S)-2,4-dimethylhexane
SMILESCC[C@H](C)CC(C)C
InChIInChI=1S/C8H18/c1-5-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyHDGQICNBXPAKLR-QMMMGPOBSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.23
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (4S)-2,4-dimethylhexane 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

(4R)-2,4-dimethylhexane;methane
CID 157133469
2,4-dimethylhexane;propane
CID 143348383
2,4,6,8-tetramethyldecane
CID 54224604
2,4-dimethylhexane;hexane
CID 174686373
2,4,7,9-tetramethylundecane
CID 91346710
3,5-dimethylheptane;ethane
CID 172617343
propane;2,4,6-trimethylheptane
CID 165013878
2,4,6,8,10,12,14,16,18,20-decamethylhenicosane
CID 123384520
(4R,8R)-2,4,6,8,10-pentamethylundecane
CID 134836322
(5S)-3-ethyl-5-methylheptane
CID 59094044
acetylene;2,4,6-trimethylheptane
CID 144531255
(2S)-4-methylhexan-2-amine
CID 141201507

Frequently Asked Questions

What is the IUPAC name of (4S)-2,4-dimethylhexane?
The IUPAC name of (4S)-2,4-dimethylhexane (CID 22810193) is (4S)-2,4-dimethylhexane.
What is the SMILES notation for (4S)-2,4-dimethylhexane?
The canonical SMILES for (4S)-2,4-dimethylhexane is CC[C@H](C)CC(C)C.
What is the InChIKey of (4S)-2,4-dimethylhexane?
The InChIKey is HDGQICNBXPAKLR-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18/c1-5-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3/t8-/m0/s1.
What are the key properties of (4S)-2,4-dimethylhexane?
(4S)-2,4-dimethylhexane has a molecular weight of 114.23 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,4-dimethylhexane is sourced from PubChem (CID 22810193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).