(4S)-3-ethyl-2,4-dimethylhexane

C10H22 — CID 59911226

IUPAC(4S)-3-ethyl-2,4-dimethylhexane
SMILESCCC(C(C)C)[C@@H](C)CC
InChIInChI=1S/C10H22/c1-6-9(5)10(7-2)8(3)4/h8-10H,6-7H2,1-5H3/t9-,10?/m0/s1
InChIKeyOSKIMJMPFNLVOU-RGURZIINSA-N
MW142.29 g/mol
LogP3.71
Rot. Bonds4

About (4S)-3-ethyl-2,4-dimethylhexane

(4S)-3-ethyl-2,4-dimethylhexane (PubChem CID 59911226) has the molecular formula C10H22 and a molecular weight of 142.29 g/mol. Its IUPAC name is (4S)-3-ethyl-2,4-dimethylhexane.

Molecular Properties

Compound Name(4S)-3-ethyl-2,4-dimethylhexane
PubChem CID59911226
Molecular FormulaC10H22
Molecular Weight142.29 g/mol
Exact Mass142.17
IUPAC Name(4S)-3-ethyl-2,4-dimethylhexane
SMILESCCC(C(C)C)[C@@H](C)CC
InChIInChI=1S/C10H22/c1-6-9(5)10(7-2)8(3)4/h8-10H,6-7H2,1-5H3/t9-,10?/m0/s1
InChIKeyOSKIMJMPFNLVOU-RGURZIINSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-ethyl-2,5-dimethyl-4-propan-2-ylheptane
CID 57493037
(4S)-3-methyl-4-propan-2-ylheptane
CID 59076556
methane;(3S,4R)-3-methyl-4-propan-2-ylheptane
CID 159506310
3-ethyl-N,2,4-trimethylpentan-1-amine
CID 123681641
(4S,5S)-5-methyl-4-propan-2-ylhept-1-ene
CID 59039366
2-ethyl-3-methylpentane-1,1-diol
CID 151142103
3,6-diethyl-2,7-dimethyl-4,5-di(propan-2-yl)octane
CID 140704954
3-ethyl-2,4-dimethylpentane;2,3,4-trimethylpentane
CID 158873092
3-ethyl-N,4-dimethylhexan-2-amine
CID 163950897
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
5-ethyl-4-ethylsulfanyl-2,6-dimethyloctane
CID 123309563
4-ethyl-2,5-dimethylhexan-3-ol
CID 79298861

Frequently Asked Questions

What is the IUPAC name of (4S)-3-ethyl-2,4-dimethylhexane?
The IUPAC name of (4S)-3-ethyl-2,4-dimethylhexane (CID 59911226) is (4S)-3-ethyl-2,4-dimethylhexane.
What is the SMILES notation for (4S)-3-ethyl-2,4-dimethylhexane?
The canonical SMILES for (4S)-3-ethyl-2,4-dimethylhexane is CCC(C(C)C)[C@@H](C)CC.
What is the InChIKey of (4S)-3-ethyl-2,4-dimethylhexane?
The InChIKey is OSKIMJMPFNLVOU-RGURZIINSA-N. The full InChI is InChI=1S/C10H22/c1-6-9(5)10(7-2)8(3)4/h8-10H,6-7H2,1-5H3/t9-,10?/m0/s1.
What are the key properties of (4S)-3-ethyl-2,4-dimethylhexane?
(4S)-3-ethyl-2,4-dimethylhexane has a molecular weight of 142.29 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-ethyl-2,4-dimethylhexane is sourced from PubChem (CID 59911226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).