hexane;2-methylbutane;2-methylpropane;pentane

C20H48 — CID 160929547

IUPAChexane;2-methylbutane;2-methylpropane;pentane
SMILESCC(C)C.CCC(C)C.CCCCC.CCCCCC
InChIInChI=1S/C6H14.2C5H12.C4H10/c1-3-5-6-4-2;1-4-5(2)3;1-3-5-4-2;1-4(2)3/h3-6H2,1-2H3;5H,4H2,1-3H3;3-5H2,1-2H3;4H,1-3H3
InChIKeySTBVSMJGEMSFGB-UHFFFAOYSA-N
MW288.60 g/mol
LogP8.50
Rot. Bonds6

About hexane;2-methylbutane;2-methylpropane;pentane

hexane;2-methylbutane;2-methylpropane;pentane (PubChem CID 160929547) has the molecular formula C20H48 and a molecular weight of 288.60 g/mol. Its IUPAC name is hexane;2-methylbutane;2-methylpropane;pentane.

Molecular Properties

Compound Namehexane;2-methylbutane;2-methylpropane;pentane
PubChem CID160929547
Molecular FormulaC20H48
Molecular Weight288.60 g/mol
Exact Mass288.38
IUPAC Namehexane;2-methylbutane;2-methylpropane;pentane
SMILESCC(C)C.CCC(C)C.CCCCC.CCCCCC
InChIInChI=1S/C6H14.2C5H12.C4H10/c1-3-5-6-4-2;1-4-5(2)3;1-3-5-4-2;1-4(2)3/h3-6H2,1-2H3;5H,4H2,1-3H3;3-5H2,1-2H3;4H,1-3H3
InChIKeySTBVSMJGEMSFGB-UHFFFAOYSA-N
XLogP8.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.60
LogP ≤ 58.50
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

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CID 54106775
2,2-dimethylbutane;2-methylbutane;pentane
CID 158103656
ethane;heptane;2-methylpropane
CID 167499531
butane;ethane;3-ethylnonane;heptane;hexane;2-methylbutane;2-methylpropane;nonane;octane;pentane;propane
CID 159422954
2-methylbutane
CID 159175971
2-methylbutane
CID 158117812
2,4-dimethylpentane;pentane
CID 161023213
methane;2-methylbutane;2-methylhexane
CID 167665387
butane;2,2-dimethylpropane;ethane;methane;2-methylbutane;3-methylpentane;2-methylpropane;pentane;propane
CID 161338456
N,N-dimethylmethanamine;hexane;2-methylbutane;2,2,3-trimethylbutane
CID 144528307
hexane;2-methylpropan-1-ol
CID 19979471

Frequently Asked Questions

What is the IUPAC name of hexane;2-methylbutane;2-methylpropane;pentane?
The IUPAC name of hexane;2-methylbutane;2-methylpropane;pentane (CID 160929547) is hexane;2-methylbutane;2-methylpropane;pentane.
What is the SMILES notation for hexane;2-methylbutane;2-methylpropane;pentane?
The canonical SMILES for hexane;2-methylbutane;2-methylpropane;pentane is CC(C)C.CCC(C)C.CCCCC.CCCCCC.
What is the InChIKey of hexane;2-methylbutane;2-methylpropane;pentane?
The InChIKey is STBVSMJGEMSFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.2C5H12.C4H10/c1-3-5-6-4-2;1-4-5(2)3;1-3-5-4-2;1-4(2)3/h3-6H2,1-2H3;5H,4H2,1-3H3;3-5H2,1-2H3;4H,1-3H3.
What are the key properties of hexane;2-methylbutane;2-methylpropane;pentane?
hexane;2-methylbutane;2-methylpropane;pentane has a molecular weight of 288.60 g/mol, XLogP of 8.50, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexane;2-methylbutane;2-methylpropane;pentane is sourced from PubChem (CID 160929547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).