bis(2,3-dimethylpentane);ethane;bis(2-methylbutane);bis(2-methylpentane)

C44H108 — CID 160533172

IUPACbis(2,3-dimethylpentane);ethane;bis(2-methylbutane);bis(2-methylpentane)
SMILESCC.CC.CC.CC.CCC(C)C.CCC(C)C.CCC(C)C(C)C.CCC(C)C(C)C.CCCC(C)C.CCCC(C)C
InChIInChI=1S/2C7H16.2C6H14.2C5H12.4C2H6/c2*1-5-7(4)6(2)3;2*1-4-5-6(2)3;2*1-4-5(2)3;4*1-2/h2*6-7H,5H2,1-4H3;2*6H,4-5H2,1-3H3;2*5H,4H2,1-3H3;4*1-2H3
InChIKeyQVUWQIUFSRNADQ-UHFFFAOYSA-N
MW637.35 g/mol
LogP18.47
Rot. Bonds10

About bis(2,3-dimethylpentane);ethane;bis(2-methylbutane);bis(2-methylpentane)

bis(2,3-dimethylpentane);ethane;bis(2-methylbutane);bis(2-methylpentane) (PubChem CID 160533172) has the molecular formula C44H108 and a molecular weight of 637.35 g/mol. Its IUPAC name is bis(2,3-dimethylpentane);ethane;bis(2-methylbutane);bis(2-methylpentane).

Molecular Properties

Compound Namebis(2,3-dimethylpentane);ethane;bis(2-methylbutane);bis(2-methylpentane)
PubChem CID160533172
Molecular FormulaC44H108
Molecular Weight637.35 g/mol
Exact Mass636.85
IUPAC Namebis(2,3-dimethylpentane);ethane;bis(2-methylbutane);bis(2-methylpentane)
SMILESCC.CC.CC.CC.CCC(C)C.CCC(C)C.CCC(C)C(C)C.CCC(C)C(C)C.CCCC(C)C.CCCC(C)C
InChIInChI=1S/2C7H16.2C6H14.2C5H12.4C2H6/c2*1-5-7(4)6(2)3;2*1-4-5-6(2)3;2*1-4-5(2)3;4*1-2/h2*6-7H,5H2,1-4H3;2*6H,4-5H2,1-3H3;2*5H,4H2,1-3H3;4*1-2H3
InChIKeyQVUWQIUFSRNADQ-UHFFFAOYSA-N
XLogP18.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.35
LogP ≤ 518.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis(2,3-dimethylpentane);tetrakis(2-methylbutane)
CID 158387932
ethane;2-methylpentane
CID 143713716
2,3-dimethylhexane;methane;2-methylbutane;2-methylpentane;3-methylpentane
CID 157158834
2,3-dimethylpentane;ethane;methane
CID 143379754
ethane;methane;bis(2-methylpentane)
CID 142143156
2-methylpentane
CID 7892
(3R)-2,3-dimethylpentane;ethane;ethene
CID 178131669
2-methylpentane;hydroiodide
CID 160726714
azane;2-methylpentane
CID 18347292
azane;2-methylpentane
CID 87098569
2,3-dimethylhexane;2,5-dimethylhexane;2-methylbutane;2-methylheptane;2-methylhexane;2-methyloctane;2-methylpentane
CID 161353303
2,3-dimethylpentane;hexan-3-ol
CID 143653257

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dimethylpentane);ethane;bis(2-methylbutane);bis(2-methylpentane)?
The IUPAC name of bis(2,3-dimethylpentane);ethane;bis(2-methylbutane);bis(2-methylpentane) (CID 160533172) is bis(2,3-dimethylpentane);ethane;bis(2-methylbutane);bis(2-methylpentane).
What is the SMILES notation for bis(2,3-dimethylpentane);ethane;bis(2-methylbutane);bis(2-methylpentane)?
The canonical SMILES for bis(2,3-dimethylpentane);ethane;bis(2-methylbutane);bis(2-methylpentane) is CC.CC.CC.CC.CCC(C)C.CCC(C)C.CCC(C)C(C)C.CCC(C)C(C)C.CCCC(C)C.CCCC(C)C.
What is the InChIKey of bis(2,3-dimethylpentane);ethane;bis(2-methylbutane);bis(2-methylpentane)?
The InChIKey is QVUWQIUFSRNADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H16.2C6H14.2C5H12.4C2H6/c2*1-5-7(4)6(2)3;2*1-4-5-6(2)3;2*1-4-5(2)3;4*1-2/h2*6-7H,5H2,1-4H3;2*6H,4-5H2,1-3H3;2*5H,4H2,1-3H3;4*1-2H3.
What are the key properties of bis(2,3-dimethylpentane);ethane;bis(2-methylbutane);bis(2-methylpentane)?
bis(2,3-dimethylpentane);ethane;bis(2-methylbutane);bis(2-methylpentane) has a molecular weight of 637.35 g/mol, XLogP of 18.47, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dimethylpentane);ethane;bis(2-methylbutane);bis(2-methylpentane) is sourced from PubChem (CID 160533172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).