(3S)-3-ethyl-2,3-dimethylhexane

C10H22 — CID 158040075

IUPAC(3S)-3-ethyl-2,3-dimethylhexane
SMILESCCC[C@](C)(CC)C(C)C
InChIInChI=1S/C10H22/c1-6-8-10(5,7-2)9(3)4/h9H,6-8H2,1-5H3/t10-/m0/s1
InChIKeyPJIFKODHGMUPFH-JTQLQIEISA-N
MW142.29 g/mol
LogP3.86
Rot. Bonds4

About (3S)-3-ethyl-2,3-dimethylhexane

(3S)-3-ethyl-2,3-dimethylhexane (PubChem CID 158040075) has the molecular formula C10H22 and a molecular weight of 142.29 g/mol. Its IUPAC name is (3S)-3-ethyl-2,3-dimethylhexane.

Molecular Properties

Compound Name(3S)-3-ethyl-2,3-dimethylhexane
PubChem CID158040075
Molecular FormulaC10H22
Molecular Weight142.29 g/mol
Exact Mass142.17
IUPAC Name(3S)-3-ethyl-2,3-dimethylhexane
SMILESCCC[C@](C)(CC)C(C)C
InChIInChI=1S/C10H22/c1-6-8-10(5,7-2)9(3)4/h9H,6-8H2,1-5H3/t10-/m0/s1
InChIKeyPJIFKODHGMUPFH-JTQLQIEISA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.29
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-2,3-dimethylhexane?
The IUPAC name of (3S)-3-ethyl-2,3-dimethylhexane (CID 158040075) is (3S)-3-ethyl-2,3-dimethylhexane.
What is the SMILES notation for (3S)-3-ethyl-2,3-dimethylhexane?
The canonical SMILES for (3S)-3-ethyl-2,3-dimethylhexane is CCC[C@](C)(CC)C(C)C.
What is the InChIKey of (3S)-3-ethyl-2,3-dimethylhexane?
The InChIKey is PJIFKODHGMUPFH-JTQLQIEISA-N. The full InChI is InChI=1S/C10H22/c1-6-8-10(5,7-2)9(3)4/h9H,6-8H2,1-5H3/t10-/m0/s1.
What are the key properties of (3S)-3-ethyl-2,3-dimethylhexane?
(3S)-3-ethyl-2,3-dimethylhexane has a molecular weight of 142.29 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-2,3-dimethylhexane is sourced from PubChem (CID 158040075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).