(4S)-2,3,4-trimethylhexane

C9H20 — CID 58359072

IUPAC(4S)-2,3,4-trimethylhexane
SMILESCC[C@H](C)C(C)C(C)C
InChIInChI=1S/C9H20/c1-6-8(4)9(5)7(2)3/h7-9H,6H2,1-5H3/t8-,9?/m0/s1
InChIKeyRUTNOQHQISEBGT-IENPIDJESA-N
MW128.26 g/mol
LogP3.32
Rot. Bonds3

About (4S)-2,3,4-trimethylhexane

(4S)-2,3,4-trimethylhexane (PubChem CID 58359072) has the molecular formula C9H20 and a molecular weight of 128.26 g/mol. Its IUPAC name is (4S)-2,3,4-trimethylhexane.

Molecular Properties

Compound Name(4S)-2,3,4-trimethylhexane
PubChem CID58359072
Molecular FormulaC9H20
Molecular Weight128.26 g/mol
Exact Mass128.16
IUPAC Name(4S)-2,3,4-trimethylhexane
SMILESCC[C@H](C)C(C)C(C)C
InChIInChI=1S/C9H20/c1-6-8(4)9(5)7(2)3/h7-9H,6H2,1-5H3/t8-,9?/m0/s1
InChIKeyRUTNOQHQISEBGT-IENPIDJESA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.26
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999
4-butan-2-yl-2,3,5,6-tetramethylheptane
CID 123598520
2,3,5,6-tetramethyloctane-4-thiol
CID 139387047
bis(2,3-dimethylpentane);tetrakis(2-methylbutane)
CID 158387932
2,3-dimethylpentane;ethane;methane
CID 143379754
2-methyltriazole;2,3,4-trimethylhexane
CID 174603590
3,6,7,8-tetramethylnonan-4-amine
CID 138714564
(3R)-2,3-dimethylpentane;ethane;ethene
CID 178131669
2,3-dimethylbutane;2,3-dimethylpentane;methanethiol
CID 171505915
cyclobutane;2,3-dimethylpentane
CID 145154125
2,2,3,4,5-pentamethylheptane
CID 53428630
ethane;3,4,5,6,7,8,9,10,11-nonamethyltridecane;sulfane;3,4,5,6-tetramethyloctane;tungsten
CID 162191243

Frequently Asked Questions

What is the IUPAC name of (4S)-2,3,4-trimethylhexane?
The IUPAC name of (4S)-2,3,4-trimethylhexane (CID 58359072) is (4S)-2,3,4-trimethylhexane.
What is the SMILES notation for (4S)-2,3,4-trimethylhexane?
The canonical SMILES for (4S)-2,3,4-trimethylhexane is CC[C@H](C)C(C)C(C)C.
What is the InChIKey of (4S)-2,3,4-trimethylhexane?
The InChIKey is RUTNOQHQISEBGT-IENPIDJESA-N. The full InChI is InChI=1S/C9H20/c1-6-8(4)9(5)7(2)3/h7-9H,6H2,1-5H3/t8-,9?/m0/s1.
What are the key properties of (4S)-2,3,4-trimethylhexane?
(4S)-2,3,4-trimethylhexane has a molecular weight of 128.26 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,3,4-trimethylhexane is sourced from PubChem (CID 58359072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).