butane;bis(hexane);bis(methylcyclopentane)

C32H72 — CID 162195101

IUPACbutane;bis(hexane);bis(methylcyclopentane)
SMILESCC1CCCC1.CC1CCCC1.CCCC.CCCC.CCCCCC.CCCCCC
InChIInChI=1S/2C6H12.2C6H14.2C4H10/c2*1-6-4-2-3-5-6;2*1-3-5-6-4-2;2*1-3-4-2/h2*6H,2-5H2,1H3;2*3-6H2,1-2H3;2*3-4H2,1-2H3
InChIKeyZQVIJCJNBPYEHZ-UHFFFAOYSA-N
MW456.93 g/mol
LogP13.18
Rot. Bonds8

About butane;bis(hexane);bis(methylcyclopentane)

butane;bis(hexane);bis(methylcyclopentane) (PubChem CID 162195101) has the molecular formula C32H72 and a molecular weight of 456.93 g/mol. Its IUPAC name is butane;bis(hexane);bis(methylcyclopentane).

Molecular Properties

Compound Namebutane;bis(hexane);bis(methylcyclopentane)
PubChem CID162195101
Molecular FormulaC32H72
Molecular Weight456.93 g/mol
Exact Mass456.56
IUPAC Namebutane;bis(hexane);bis(methylcyclopentane)
SMILESCC1CCCC1.CC1CCCC1.CCCC.CCCC.CCCCCC.CCCCCC
InChIInChI=1S/2C6H12.2C6H14.2C4H10/c2*1-6-4-2-3-5-6;2*1-3-5-6-4-2;2*1-3-4-2/h2*6H,2-5H2,1H3;2*3-6H2,1-2H3;2*3-4H2,1-2H3
InChIKeyZQVIJCJNBPYEHZ-UHFFFAOYSA-N
XLogP13.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.93
LogP ≤ 513.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

butane;methylcyclopentane
CID 142053859
ethane;tris(methylcyclohexane);octane
CID 142912940
butane;methanamine;methylcyclopentane
CID 142104572
heptane;methoxymethane;methylcyclobutane
CID 168881474
ethane;methylcyclopentane;propane
CID 142080084
1-butyl-4-methylcyclooctane
CID 123623113
methylcyclopentane
CID 7296
cis-(1R,2S)-1,2-dimethylcyclohexane;heptane
CID 142453951
1-methyl-4-pentylcycloheptane
CID 123318058
ethene;methylcyclopentane;propane
CID 143370211
methane;methylcyclohexane;propane
CID 143031585
1-hexyl-3,9-dimethylcyclononadecane
CID 59972329

Frequently Asked Questions

What is the IUPAC name of butane;bis(hexane);bis(methylcyclopentane)?
The IUPAC name of butane;bis(hexane);bis(methylcyclopentane) (CID 162195101) is butane;bis(hexane);bis(methylcyclopentane).
What is the SMILES notation for butane;bis(hexane);bis(methylcyclopentane)?
The canonical SMILES for butane;bis(hexane);bis(methylcyclopentane) is CC1CCCC1.CC1CCCC1.CCCC.CCCC.CCCCCC.CCCCCC.
What is the InChIKey of butane;bis(hexane);bis(methylcyclopentane)?
The InChIKey is ZQVIJCJNBPYEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12.2C6H14.2C4H10/c2*1-6-4-2-3-5-6;2*1-3-5-6-4-2;2*1-3-4-2/h2*6H,2-5H2,1H3;2*3-6H2,1-2H3;2*3-4H2,1-2H3.
What are the key properties of butane;bis(hexane);bis(methylcyclopentane)?
butane;bis(hexane);bis(methylcyclopentane) has a molecular weight of 456.93 g/mol, XLogP of 13.18, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;bis(hexane);bis(methylcyclopentane) is sourced from PubChem (CID 162195101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).