2-methylpentane

C6H14 — CID 7892

IUPAC2-methylpentane
SMILESCCCC(C)C
InChIInChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3
InChIKeyAFABGHUZZDYHJO-UHFFFAOYSA-N
MW86.18 g/mol
LogP2.44
Rot. Bonds2

About 2-methylpentane

2-methylpentane (PubChem CID 7892) has the molecular formula C6H14 and a molecular weight of 86.18 g/mol. Its IUPAC name is 2-methylpentane.

Molecular Properties

Compound Name2-methylpentane
PubChem CID7892
Molecular FormulaC6H14
Molecular Weight86.18 g/mol
Exact Mass86.11
IUPAC Name2-methylpentane
SMILESCCCC(C)C
InChIInChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3
InChIKeyAFABGHUZZDYHJO-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.18
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

azane;2-methylpentane
CID 18347292
ethane;2-methylpentane
CID 143713716
2-methylpentane;hydroiodide
CID 160726714
azane;2-methylpentane
CID 87098569
methane;2-methylpentane;propane
CID 161026516
ethane;methane;bis(2-methylpentane)
CID 142143156
2-methylpentane;titanium(4+);tetrachloride
CID 158147790
ethanamine;2-methylpentane
CID 143240474
hexane;2-methylpentane
CID 19835603
ethane;2-methylpentane;pentane;propane
CID 142044971
2-methylpentane diisocyanate
CID 22323257
ethane;2-methylpentane;prop-1-yne
CID 143374502

Frequently Asked Questions

What is the IUPAC name of 2-methylpentane?
The IUPAC name of 2-methylpentane (CID 7892) is 2-methylpentane.
What is the SMILES notation for 2-methylpentane?
The canonical SMILES for 2-methylpentane is CCCC(C)C.
What is the InChIKey of 2-methylpentane?
The InChIKey is AFABGHUZZDYHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3.
What are the key properties of 2-methylpentane?
2-methylpentane has a molecular weight of 86.18 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentane is sourced from PubChem (CID 7892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).