2,4-dimethylpentane;pentane

C12H28 — CID 161023213

IUPAC2,4-dimethylpentane;pentane
SMILESCC(C)CC(C)C.CCCCC
InChIInChI=1S/C7H16.C5H12/c1-6(2)5-7(3)4;1-3-5-4-2/h6-7H,5H2,1-4H3;3-5H2,1-2H3
InChIKeyTYQLCAIZXPZVAZ-UHFFFAOYSA-N
MW172.36 g/mol
LogP4.89
Rot. Bonds4

About 2,4-dimethylpentane;pentane

2,4-dimethylpentane;pentane (PubChem CID 161023213) has the molecular formula C12H28 and a molecular weight of 172.36 g/mol. Its IUPAC name is 2,4-dimethylpentane;pentane.

Molecular Properties

Compound Name2,4-dimethylpentane;pentane
PubChem CID161023213
Molecular FormulaC12H28
Molecular Weight172.36 g/mol
Exact Mass172.22
IUPAC Name2,4-dimethylpentane;pentane
SMILESCC(C)CC(C)C.CCCCC
InChIInChI=1S/C7H16.C5H12/c1-6(2)5-7(3)4;1-3-5-4-2/h6-7H,5H2,1-4H3;3-5H2,1-2H3
InChIKeyTYQLCAIZXPZVAZ-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.36
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4-dimethylpentane;ethane;heptane
CID 153392396
bis(2,4-dimethylpentane);propane;tungsten(2+)
CID 157303030
2,4-dimethylpentane
CID 157050020
2,2-dimethylhexane;2,4-dimethylpentane;ethane
CID 145269635
hexane;2-methylbutane;2-methylpropane;pentane
CID 160929547
2,4-dimethylhexane;hexane
CID 174686373
2,4-dimethylpentane;methane
CID 159476318
acetylene;2,4-dimethylpentane
CID 167651238
2,4-dimethyltetradecane
CID 53423723
(4S)-2,4-dimethylicosane
CID 134952934
2,4-dimethyloctane;ethene
CID 156719555
4-iodo-2-methyloctane
CID 174582268

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentane;pentane?
The IUPAC name of 2,4-dimethylpentane;pentane (CID 161023213) is 2,4-dimethylpentane;pentane.
What is the SMILES notation for 2,4-dimethylpentane;pentane?
The canonical SMILES for 2,4-dimethylpentane;pentane is CC(C)CC(C)C.CCCCC.
What is the InChIKey of 2,4-dimethylpentane;pentane?
The InChIKey is TYQLCAIZXPZVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C5H12/c1-6(2)5-7(3)4;1-3-5-4-2/h6-7H,5H2,1-4H3;3-5H2,1-2H3.
What are the key properties of 2,4-dimethylpentane;pentane?
2,4-dimethylpentane;pentane has a molecular weight of 172.36 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentane;pentane is sourced from PubChem (CID 161023213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).