pentane;propane

C8H20 — CID 91422342

IUPACpentane;propane
SMILESCCC.CCCCC
InChIInChI=1S/C5H12.C3H8/c1-3-5-4-2;1-3-2/h3-5H2,1-2H3;3H2,1-2H3
InChIKeyXJMJSRAWSDKRQK-UHFFFAOYSA-N
MW116.25 g/mol
LogP3.61
Rot. Bonds2

About pentane;propane

pentane;propane (PubChem CID 91422342) has the molecular formula C8H20 and a molecular weight of 116.25 g/mol. Its IUPAC name is pentane;propane.

Molecular Properties

Compound Namepentane;propane
PubChem CID91422342
Molecular FormulaC8H20
Molecular Weight116.25 g/mol
Exact Mass116.16
IUPAC Namepentane;propane
SMILESCCC.CCCCC
InChIInChI=1S/C5H12.C3H8/c1-3-5-4-2;1-3-2/h3-5H2,1-2H3;3H2,1-2H3
InChIKeyXJMJSRAWSDKRQK-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.25
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;pentane;propane
CID 154691570
methane;pentane;propane
CID 159978864
butane;pentane;propane
CID 153402705
methane;pentane;propane
CID 169428492
methane;pentane;propane
CID 143342797
hexane;pentane;propane
CID 165146348
ethene;pentane;propane
CID 145405688
alumane;pentane
CID 173125985
hexadecakis(pentane);dihydrate
CID 173099119
zinc pentane
CID 19065630
CID 159411255
CID 159411255
pentane;rhodium
CID 173105348

Frequently Asked Questions

What is the IUPAC name of pentane;propane?
The IUPAC name of pentane;propane (CID 91422342) is pentane;propane.
What is the SMILES notation for pentane;propane?
The canonical SMILES for pentane;propane is CCC.CCCCC.
What is the InChIKey of pentane;propane?
The InChIKey is XJMJSRAWSDKRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C3H8/c1-3-5-4-2;1-3-2/h3-5H2,1-2H3;3H2,1-2H3.
What are the key properties of pentane;propane?
pentane;propane has a molecular weight of 116.25 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentane;propane is sourced from PubChem (CID 91422342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).