bis(2,2-dimethylpentane);methane

C15H36 — CID 159859974

IUPACbis(2,2-dimethylpentane);methane
SMILESC.CCCC(C)(C)C.CCCC(C)(C)C
InChIInChI=1S/2C7H16.CH4/c2*1-5-6-7(2,3)4;/h2*5-6H2,1-4H3;1H4
InChIKeyNRAFOKDSUPNTNF-UHFFFAOYSA-N
MW216.45 g/mol
LogP6.30
Rot. Bonds2

About bis(2,2-dimethylpentane);methane

bis(2,2-dimethylpentane);methane (PubChem CID 159859974) has the molecular formula C15H36 and a molecular weight of 216.45 g/mol. Its IUPAC name is bis(2,2-dimethylpentane);methane.

Molecular Properties

Compound Namebis(2,2-dimethylpentane);methane
PubChem CID159859974
Molecular FormulaC15H36
Molecular Weight216.45 g/mol
Exact Mass216.28
IUPAC Namebis(2,2-dimethylpentane);methane
SMILESC.CCCC(C)(C)C.CCCC(C)(C)C
InChIInChI=1S/2C7H16.CH4/c2*1-5-6-7(2,3)4;/h2*5-6H2,1-4H3;1H4
InChIKeyNRAFOKDSUPNTNF-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.45
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2,4-Trimethylpentane
CID 10907
2,2-Dimethylhexane
CID 11551
3,3-Dimethylhexane
CID 11233
2,2-Dimethylpentane
CID 11542
2,2,4,4-Tetramethylpentane
CID 14058
2,2,5,5-Tetramethylhexane
CID 14067
2,2,5-Trimethylhexane
CID 19041
Hexane, 3-ethyl-3-methyl-
CID 18313
2,2,3,3-Tetramethylpentane
CID 92723
1,1,3,3-Tetramethylcyclobutane
CID 3340552
2,2,4-Tri(methyl-d3)pentane-1,1,1,3,3,4,5,5,5-d9
CID 16212984
3,3-Diethylhexane
CID 517037

Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethylpentane);methane?
The IUPAC name of bis(2,2-dimethylpentane);methane (CID 159859974) is bis(2,2-dimethylpentane);methane.
What is the SMILES notation for bis(2,2-dimethylpentane);methane?
The canonical SMILES for bis(2,2-dimethylpentane);methane is C.CCCC(C)(C)C.CCCC(C)(C)C.
What is the InChIKey of bis(2,2-dimethylpentane);methane?
The InChIKey is NRAFOKDSUPNTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H16.CH4/c2*1-5-6-7(2,3)4;/h2*5-6H2,1-4H3;1H4.
What are the key properties of bis(2,2-dimethylpentane);methane?
bis(2,2-dimethylpentane);methane has a molecular weight of 216.45 g/mol, XLogP of 6.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethylpentane);methane is sourced from PubChem (CID 159859974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).