2,3-dimethylbutane;2,3-dimethylpentane;2,4-dimethylpentane

C20H46 — CID 159853039

IUPAC2,3-dimethylbutane;2,3-dimethylpentane;2,4-dimethylpentane
SMILESCC(C)C(C)C.CC(C)CC(C)C.CCC(C)C(C)C
InChIInChI=1S/2C7H16.C6H14/c1-6(2)5-7(3)4;1-5-7(4)6(2)3;1-5(2)6(3)4/h2*6-7H,5H2,1-4H3;5-6H,1-4H3
InChIKeyNQEKFBVOBBSRAW-UHFFFAOYSA-N
MW286.59 g/mol
LogP7.68
Rot. Bonds5

About 2,3-dimethylbutane;2,3-dimethylpentane;2,4-dimethylpentane

2,3-dimethylbutane;2,3-dimethylpentane;2,4-dimethylpentane (PubChem CID 159853039) has the molecular formula C20H46 and a molecular weight of 286.59 g/mol. Its IUPAC name is 2,3-dimethylbutane;2,3-dimethylpentane;2,4-dimethylpentane.

Molecular Properties

Compound Name2,3-dimethylbutane;2,3-dimethylpentane;2,4-dimethylpentane
PubChem CID159853039
Molecular FormulaC20H46
Molecular Weight286.59 g/mol
Exact Mass286.36
IUPAC Name2,3-dimethylbutane;2,3-dimethylpentane;2,4-dimethylpentane
SMILESCC(C)C(C)C.CC(C)CC(C)C.CCC(C)C(C)C
InChIInChI=1S/2C7H16.C6H14/c1-6(2)5-7(3)4;1-5-7(4)6(2)3;1-5(2)6(3)4/h2*6-7H,5H2,1-4H3;5-6H,1-4H3
InChIKeyNQEKFBVOBBSRAW-UHFFFAOYSA-N
XLogP7.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.59
LogP ≤ 57.68
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-dimethylbutane;2,3-dimethylpentane;methanethiol
CID 171505915
2,3-dimethylpentane;ethane;methane
CID 143379754
(3R)-2,3-dimethylpentane;ethane;ethene
CID 178131669
cyclobutane;2,3-dimethylpentane
CID 145154125
(5R)-2,3,5-trimethylheptane
CID 59882960
alumane;2,4,5-trimethylheptane
CID 174508217
ethane;2,4,5-trimethylheptane
CID 142268679
octakis(benzene-1,3-diol);2,3-dimethylpentane;2,4-dimethylpentane;propane
CID 161453979
2,4-dimethylpentane
CID 157050020
(4S)-2,3,4-trimethylhexane
CID 58359072
2,2-dimethylbutane;2,3-dimethylpentane;methane;bis(2-methylbutane)
CID 158330539

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane;2,3-dimethylpentane;2,4-dimethylpentane?
The IUPAC name of 2,3-dimethylbutane;2,3-dimethylpentane;2,4-dimethylpentane (CID 159853039) is 2,3-dimethylbutane;2,3-dimethylpentane;2,4-dimethylpentane.
What is the SMILES notation for 2,3-dimethylbutane;2,3-dimethylpentane;2,4-dimethylpentane?
The canonical SMILES for 2,3-dimethylbutane;2,3-dimethylpentane;2,4-dimethylpentane is CC(C)C(C)C.CC(C)CC(C)C.CCC(C)C(C)C.
What is the InChIKey of 2,3-dimethylbutane;2,3-dimethylpentane;2,4-dimethylpentane?
The InChIKey is NQEKFBVOBBSRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H16.C6H14/c1-6(2)5-7(3)4;1-5-7(4)6(2)3;1-5(2)6(3)4/h2*6-7H,5H2,1-4H3;5-6H,1-4H3.
What are the key properties of 2,3-dimethylbutane;2,3-dimethylpentane;2,4-dimethylpentane?
2,3-dimethylbutane;2,3-dimethylpentane;2,4-dimethylpentane has a molecular weight of 286.59 g/mol, XLogP of 7.68, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane;2,3-dimethylpentane;2,4-dimethylpentane is sourced from PubChem (CID 159853039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).