bis(2,3-dimethylpentane);tetrakis(2-methylbutane)

C34H80 — CID 158387932

IUPACbis(2,3-dimethylpentane);tetrakis(2-methylbutane)
SMILESCCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C(C)C.CCC(C)C(C)C
InChIInChI=1S/2C7H16.4C5H12/c2*1-5-7(4)6(2)3;4*1-4-5(2)3/h2*6-7H,5H2,1-4H3;4*5H,4H2,1-3H3
InChIKeyGWOYJOMMMZGZEG-UHFFFAOYSA-N
MW489.01 g/mol
LogP13.59
Rot. Bonds8

About bis(2,3-dimethylpentane);tetrakis(2-methylbutane)

bis(2,3-dimethylpentane);tetrakis(2-methylbutane) (PubChem CID 158387932) has the molecular formula C34H80 and a molecular weight of 489.01 g/mol. Its IUPAC name is bis(2,3-dimethylpentane);tetrakis(2-methylbutane).

Molecular Properties

Compound Namebis(2,3-dimethylpentane);tetrakis(2-methylbutane)
PubChem CID158387932
Molecular FormulaC34H80
Molecular Weight489.01 g/mol
Exact Mass488.63
IUPAC Namebis(2,3-dimethylpentane);tetrakis(2-methylbutane)
SMILESCCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C(C)C.CCC(C)C(C)C
InChIInChI=1S/2C7H16.4C5H12/c2*1-5-7(4)6(2)3;4*1-4-5(2)3/h2*6-7H,5H2,1-4H3;4*5H,4H2,1-3H3
InChIKeyGWOYJOMMMZGZEG-UHFFFAOYSA-N
XLogP13.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.01
LogP ≤ 513.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-dimethylpentane;ethane;methane
CID 143379754
2,3-dimethylbutane;2,3-dimethylpentane;2,4-dimethylpentane
CID 159853039
2,2-dimethylbutane;2,3-dimethylpentane;methane;bis(2-methylbutane)
CID 158330539
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-methylbutane
CID 158117812
2-methylbutane
CID 159175971
(4S)-2,3,4-trimethylhexane
CID 58359072
2-methylbutane;yttrium
CID 157105537
2-methylbutane;nickel
CID 159021520

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dimethylpentane);tetrakis(2-methylbutane)?
The IUPAC name of bis(2,3-dimethylpentane);tetrakis(2-methylbutane) (CID 158387932) is bis(2,3-dimethylpentane);tetrakis(2-methylbutane).
What is the SMILES notation for bis(2,3-dimethylpentane);tetrakis(2-methylbutane)?
The canonical SMILES for bis(2,3-dimethylpentane);tetrakis(2-methylbutane) is CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C(C)C.CCC(C)C(C)C.
What is the InChIKey of bis(2,3-dimethylpentane);tetrakis(2-methylbutane)?
The InChIKey is GWOYJOMMMZGZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H16.4C5H12/c2*1-5-7(4)6(2)3;4*1-4-5(2)3/h2*6-7H,5H2,1-4H3;4*5H,4H2,1-3H3.
What are the key properties of bis(2,3-dimethylpentane);tetrakis(2-methylbutane)?
bis(2,3-dimethylpentane);tetrakis(2-methylbutane) has a molecular weight of 489.01 g/mol, XLogP of 13.59, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dimethylpentane);tetrakis(2-methylbutane) is sourced from PubChem (CID 158387932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).