ethane;heptane;methane

C12H32 — CID 142916060

IUPACethane;heptane;methane
SMILESC.CC.CC.CCCCCCC
InChIInChI=1S/C7H16.2C2H6.CH4/c1-3-5-7-6-4-2;2*1-2;/h3-7H2,1-2H3;2*1-2H3;1H4
InChIKeyKKWIXQPYJRNPKB-UHFFFAOYSA-N
MW176.39 g/mol
LogP5.67
Rot. Bonds4

About ethane;heptane;methane

ethane;heptane;methane (PubChem CID 142916060) has the molecular formula C12H32 and a molecular weight of 176.39 g/mol. Its IUPAC name is ethane;heptane;methane.

Molecular Properties

Compound Nameethane;heptane;methane
PubChem CID142916060
Molecular FormulaC12H32
Molecular Weight176.39 g/mol
Exact Mass176.25
IUPAC Nameethane;heptane;methane
SMILESC.CC.CC.CCCCCCC
InChIInChI=1S/C7H16.2C2H6.CH4/c1-3-5-7-6-4-2;2*1-2;/h3-7H2,1-2H3;2*1-2H3;1H4
InChIKeyKKWIXQPYJRNPKB-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500176.39
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;heptane;methane 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

ethane;methane;octane
CID 158155293
ethane;methane;tridecane
CID 159295261
dodecane;methane
CID 22277750
ethane;octadecane
CID 143981738
bis(hexadecane);methane
CID 161318895
bis(hexacosane);methane
CID 157430725
ethane;heptane;pentane
CID 142269041
butane;pentakis(heptane);methane
CID 160660769
methane;octane;dihydrochloride
CID 174397937
azane;methane;undecane
CID 159407970
azane;docosane;methane
CID 175254385
ethane;tris(heptane);propane
CID 158842848

Frequently Asked Questions

What is the IUPAC name of ethane;heptane;methane?
The IUPAC name of ethane;heptane;methane (CID 142916060) is ethane;heptane;methane.
What is the SMILES notation for ethane;heptane;methane?
The canonical SMILES for ethane;heptane;methane is C.CC.CC.CCCCCCC.
What is the InChIKey of ethane;heptane;methane?
The InChIKey is KKWIXQPYJRNPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.2C2H6.CH4/c1-3-5-7-6-4-2;2*1-2;/h3-7H2,1-2H3;2*1-2H3;1H4.
What are the key properties of ethane;heptane;methane?
ethane;heptane;methane has a molecular weight of 176.39 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;heptane;methane is sourced from PubChem (CID 142916060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).