2,2-dimethylbutane;2,3-dimethylpentane;methane;bis(2-methylbutane)

C25H62 — CID 158330539

IUPAC2,2-dimethylbutane;2,3-dimethylpentane;methane;bis(2-methylbutane)
SMILESC.C.CCC(C)(C)C.CCC(C)C.CCC(C)C.CCC(C)C(C)C
InChIInChI=1S/C7H16.C6H14.2C5H12.2CH4/c1-5-7(4)6(2)3;1-5-6(2,3)4;2*1-4-5(2)3;;/h6-7H,5H2,1-4H3;5H2,1-4H3;2*5H,4H2,1-3H3;2*1H4
InChIKeyGPYJLKGHURFVJO-UHFFFAOYSA-N
MW362.77 g/mol
LogP10.51
Rot. Bonds4

About 2,2-dimethylbutane;2,3-dimethylpentane;methane;bis(2-methylbutane)

2,2-dimethylbutane;2,3-dimethylpentane;methane;bis(2-methylbutane) (PubChem CID 158330539) has the molecular formula C25H62 and a molecular weight of 362.77 g/mol. Its IUPAC name is 2,2-dimethylbutane;2,3-dimethylpentane;methane;bis(2-methylbutane).

Molecular Properties

Compound Name2,2-dimethylbutane;2,3-dimethylpentane;methane;bis(2-methylbutane)
PubChem CID158330539
Molecular FormulaC25H62
Molecular Weight362.77 g/mol
Exact Mass362.49
IUPAC Name2,2-dimethylbutane;2,3-dimethylpentane;methane;bis(2-methylbutane)
SMILESC.C.CCC(C)(C)C.CCC(C)C.CCC(C)C.CCC(C)C(C)C
InChIInChI=1S/C7H16.C6H14.2C5H12.2CH4/c1-5-7(4)6(2)3;1-5-6(2,3)4;2*1-4-5(2)3;;/h6-7H,5H2,1-4H3;5H2,1-4H3;2*5H,4H2,1-3H3;2*1H4
InChIKeyGPYJLKGHURFVJO-UHFFFAOYSA-N
XLogP10.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.77
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis(2,3-dimethylpentane);tetrakis(2-methylbutane)
CID 158387932
2,3-dimethylpentane;ethane;methane
CID 143379754
2,2-dimethylbutane;2-methylbutane;pentane
CID 158103656
pentakis(2,2-dimethylbutane);methane
CID 161368616
tetrakis(2,2-dimethylbutane);methane
CID 158609630
2,2-dimethylbutane;2,3-dimethylbutane;3-methylpentane
CID 159848949
2,3-dimethylbutane;2,3-dimethylpentane;2,4-dimethylpentane
CID 159853039
bis(2,3-dimethylpentane);ethane;bis(2-methylbutane);bis(2-methylpentane)
CID 160533172
2,3-dimethylbutane;2,3-dimethylpentane;methanethiol
CID 171505915
(3R)-2,3-dimethylpentane;ethane;ethene
CID 178131669
cyclobutane;2,3-dimethylpentane
CID 145154125
2,2,3,4,5-pentamethylheptane
CID 53428630

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutane;2,3-dimethylpentane;methane;bis(2-methylbutane)?
The IUPAC name of 2,2-dimethylbutane;2,3-dimethylpentane;methane;bis(2-methylbutane) (CID 158330539) is 2,2-dimethylbutane;2,3-dimethylpentane;methane;bis(2-methylbutane).
What is the SMILES notation for 2,2-dimethylbutane;2,3-dimethylpentane;methane;bis(2-methylbutane)?
The canonical SMILES for 2,2-dimethylbutane;2,3-dimethylpentane;methane;bis(2-methylbutane) is C.C.CCC(C)(C)C.CCC(C)C.CCC(C)C.CCC(C)C(C)C.
What is the InChIKey of 2,2-dimethylbutane;2,3-dimethylpentane;methane;bis(2-methylbutane)?
The InChIKey is GPYJLKGHURFVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C6H14.2C5H12.2CH4/c1-5-7(4)6(2)3;1-5-6(2,3)4;2*1-4-5(2)3;;/h6-7H,5H2,1-4H3;5H2,1-4H3;2*5H,4H2,1-3H3;2*1H4.
What are the key properties of 2,2-dimethylbutane;2,3-dimethylpentane;methane;bis(2-methylbutane)?
2,2-dimethylbutane;2,3-dimethylpentane;methane;bis(2-methylbutane) has a molecular weight of 362.77 g/mol, XLogP of 10.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutane;2,3-dimethylpentane;methane;bis(2-methylbutane) is sourced from PubChem (CID 158330539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).