(3R,4R)-3,4-dimethylhexane;methane

C9H22 — CID 159261482

IUPAC(3R,4R)-3,4-dimethylhexane;methane
SMILESC.CC[C@@H](C)[C@H](C)CC
InChIInChI=1S/C8H18.CH4/c1-5-7(3)8(4)6-2;/h7-8H,5-6H2,1-4H3;1H4/t7-,8-;/m1./s1
InChIKeyKWOJFQGMVCCGQS-SCLLHFNJSA-N
MW130.27 g/mol
LogP3.71
Rot. Bonds3

About (3R,4R)-3,4-dimethylhexane;methane

(3R,4R)-3,4-dimethylhexane;methane (PubChem CID 159261482) has the molecular formula C9H22 and a molecular weight of 130.27 g/mol. Its IUPAC name is (3R,4R)-3,4-dimethylhexane;methane.

Molecular Properties

Compound Name(3R,4R)-3,4-dimethylhexane;methane
PubChem CID159261482
Molecular FormulaC9H22
Molecular Weight130.27 g/mol
Exact Mass130.17
IUPAC Name(3R,4R)-3,4-dimethylhexane;methane
SMILESC.CC[C@@H](C)[C@H](C)CC
InChIInChI=1S/C8H18.CH4/c1-5-7(3)8(4)6-2;/h7-8H,5-6H2,1-4H3;1H4/t7-,8-;/m1./s1
InChIKeyKWOJFQGMVCCGQS-SCLLHFNJSA-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 ≤ 500130.27
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 91437014
CID 91437014
(4S)-3,4-dimethylhexane;methyliodanuidylmethane
CID 168990410
2,3-dimethylpentane;ethane;methane
CID 143379754
(4R)-3-ethyl-4-methylhexane
CID 59954491
(3R)-3,4-dimethylheptane
CID 59819300
ethane;2,4,5-trimethylheptane
CID 142268679
alumane;2,4,5-trimethylheptane
CID 174508217
3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999
(2S,3S)-1-hydroperoxy-2,3-dimethylpentane
CID 59874869
(2R)-N,N,2,3-tetramethylpentan-1-amine
CID 130182039
(4S)-2,3,4-trimethylhexane
CID 58359072
bis(2,3-dimethylpentane);tetrakis(2-methylbutane)
CID 158387932

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4-dimethylhexane;methane?
The IUPAC name of (3R,4R)-3,4-dimethylhexane;methane (CID 159261482) is (3R,4R)-3,4-dimethylhexane;methane.
What is the SMILES notation for (3R,4R)-3,4-dimethylhexane;methane?
The canonical SMILES for (3R,4R)-3,4-dimethylhexane;methane is C.CC[C@@H](C)[C@H](C)CC.
What is the InChIKey of (3R,4R)-3,4-dimethylhexane;methane?
The InChIKey is KWOJFQGMVCCGQS-SCLLHFNJSA-N. The full InChI is InChI=1S/C8H18.CH4/c1-5-7(3)8(4)6-2;/h7-8H,5-6H2,1-4H3;1H4/t7-,8-;/m1./s1.
What are the key properties of (3R,4R)-3,4-dimethylhexane;methane?
(3R,4R)-3,4-dimethylhexane;methane has a molecular weight of 130.27 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 (3R,4R)-3,4-dimethylhexane;methane is sourced from PubChem (CID 159261482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).