(4R)-2,4-dimethylhexane;methane

C9H22 — CID 157133469

IUPAC(4R)-2,4-dimethylhexane;methane
SMILESC.CC[C@@H](C)CC(C)C
InChIInChI=1S/C8H18.CH4/c1-5-8(4)6-7(2)3;/h7-8H,5-6H2,1-4H3;1H4/t8-;/m1./s1
InChIKeyAJINYXMWRWMJJJ-DDWIOCJRSA-N
MW130.28 g/mol
LogP3.71
Rot. Bonds3

About (4R)-2,4-dimethylhexane;methane

(4R)-2,4-dimethylhexane;methane (PubChem CID 157133469) has the molecular formula C9H22 and a molecular weight of 130.28 g/mol. Its IUPAC name is (4R)-2,4-dimethylhexane;methane.

Molecular Properties

Compound Name(4R)-2,4-dimethylhexane;methane
PubChem CID157133469
Molecular FormulaC9H22
Molecular Weight130.28 g/mol
Exact Mass130.17
IUPAC Name(4R)-2,4-dimethylhexane;methane
SMILESC.CC[C@@H](C)CC(C)C
InChIInChI=1S/C8H18.CH4/c1-5-8(4)6-7(2)3;/h7-8H,5-6H2,1-4H3;1H4/t8-;/m1./s1
InChIKeyAJINYXMWRWMJJJ-DDWIOCJRSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.28
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4S)-2,4-dimethylhexane
CID 22810193
2,4-dimethylhexane;propane
CID 143348383
2,4,6,8-tetramethyldecane
CID 54224604
2,4,7,9-tetramethylundecane
CID 91346710
2,4-dimethylhexane;hexane
CID 174686373
3,5-dimethylheptane;ethane
CID 172617343
propane;2,4,6-trimethylheptane
CID 165013878
methane;3-methylpentane
CID 157218592
methane;3-methylpentane
CID 153359275
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

Frequently Asked Questions

What is the IUPAC name of (4R)-2,4-dimethylhexane;methane?
The IUPAC name of (4R)-2,4-dimethylhexane;methane (CID 157133469) is (4R)-2,4-dimethylhexane;methane.
What is the SMILES notation for (4R)-2,4-dimethylhexane;methane?
The canonical SMILES for (4R)-2,4-dimethylhexane;methane is C.CC[C@@H](C)CC(C)C.
What is the InChIKey of (4R)-2,4-dimethylhexane;methane?
The InChIKey is AJINYXMWRWMJJJ-DDWIOCJRSA-N. The full InChI is InChI=1S/C8H18.CH4/c1-5-8(4)6-7(2)3;/h7-8H,5-6H2,1-4H3;1H4/t8-;/m1./s1.
What are the key properties of (4R)-2,4-dimethylhexane;methane?
(4R)-2,4-dimethylhexane;methane has a molecular weight of 130.28 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,4-dimethylhexane;methane is sourced from PubChem (CID 157133469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).