butane;hexane;octane;pentane;propane

C26H62 — CID 163800652

IUPACbutane;hexane;octane;pentane;propane
SMILESCCC.CCCC.CCCCC.CCCCCC.CCCCCCCC
InChIInChI=1S/C8H18.C6H14.C5H12.C4H10.C3H8/c1-3-5-7-8-6-4-2;1-3-5-6-4-2;1-3-5-4-2;1-3-4-2;1-3-2/h3-8H2,1-2H3;3-6H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3
InChIKeyNEQUDNILXIWQII-UHFFFAOYSA-N
MW374.78 g/mol
LogP11.37
Rot. Bonds11

About butane;hexane;octane;pentane;propane

butane;hexane;octane;pentane;propane (PubChem CID 163800652) has the molecular formula C26H62 and a molecular weight of 374.78 g/mol. Its IUPAC name is butane;hexane;octane;pentane;propane.

Molecular Properties

Compound Namebutane;hexane;octane;pentane;propane
PubChem CID163800652
Molecular FormulaC26H62
Molecular Weight374.78 g/mol
Exact Mass374.49
IUPAC Namebutane;hexane;octane;pentane;propane
SMILESCCC.CCCC.CCCCC.CCCCCC.CCCCCCCC
InChIInChI=1S/C8H18.C6H14.C5H12.C4H10.C3H8/c1-3-5-7-8-6-4-2;1-3-5-6-4-2;1-3-5-4-2;1-3-4-2;1-3-2/h3-8H2,1-2H3;3-6H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3
InChIKeyNEQUDNILXIWQII-UHFFFAOYSA-N
XLogP11.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.78
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butane;hexane;octane;pentane;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butane;decane;dodecane;ethane;henicosane;heptadecane;heptane;hexadecane;hexane;icosane;methane;nonadecane;nonane;octadecane;octane;pentadecane;pentane;propane;tetradecane;tridecane;undecane
CID 158926505
heptane;hexane;octane;pentane
CID 159214735
tetrakis(nonane);bis(pentane)
CID 158390230
butane;pentane;propane
CID 153402705
octane;pentane
CID 19101448
hexane;pentane;propane
CID 165146348
butane;ethane;hexane;propane
CID 167704000
butane;pentakis(heptane);methane
CID 160660769
butane;hexane;methane;pentane
CID 162085022
hydrazine;pentadecane
CID 174880620
butane;ethane;heptane
CID 143121250
ethane;tris(heptane);propane
CID 158842848

Frequently Asked Questions

What is the IUPAC name of butane;hexane;octane;pentane;propane?
The IUPAC name of butane;hexane;octane;pentane;propane (CID 163800652) is butane;hexane;octane;pentane;propane.
What is the SMILES notation for butane;hexane;octane;pentane;propane?
The canonical SMILES for butane;hexane;octane;pentane;propane is CCC.CCCC.CCCCC.CCCCCC.CCCCCCCC.
What is the InChIKey of butane;hexane;octane;pentane;propane?
The InChIKey is NEQUDNILXIWQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C6H14.C5H12.C4H10.C3H8/c1-3-5-7-8-6-4-2;1-3-5-6-4-2;1-3-5-4-2;1-3-4-2;1-3-2/h3-8H2,1-2H3;3-6H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3.
What are the key properties of butane;hexane;octane;pentane;propane?
butane;hexane;octane;pentane;propane has a molecular weight of 374.78 g/mol, XLogP of 11.37, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;hexane;octane;pentane;propane is sourced from PubChem (CID 163800652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).