heptane;hexane;octane;pentane

C26H60 — CID 159214735

IUPACheptane;hexane;octane;pentane
SMILESCCCCC.CCCCCC.CCCCCCC.CCCCCCCC
InChIInChI=1S/C8H18.C7H16.C6H14.C5H12/c1-3-5-7-8-6-4-2;1-3-5-7-6-4-2;1-3-5-6-4-2;1-3-5-4-2/h3-8H2,1-2H3;3-7H2,1-2H3;3-6H2,1-2H3;3-5H2,1-2H3
InChIKeyKQXRGGCFMMDKFR-UHFFFAOYSA-N
MW372.77 g/mol
LogP11.13
Rot. Bonds14

About heptane;hexane;octane;pentane

heptane;hexane;octane;pentane (PubChem CID 159214735) has the molecular formula C26H60 and a molecular weight of 372.77 g/mol. Its IUPAC name is heptane;hexane;octane;pentane.

Molecular Properties

Compound Nameheptane;hexane;octane;pentane
PubChem CID159214735
Molecular FormulaC26H60
Molecular Weight372.77 g/mol
Exact Mass372.47
IUPAC Nameheptane;hexane;octane;pentane
SMILESCCCCC.CCCCCC.CCCCCCC.CCCCCCCC
InChIInChI=1S/C8H18.C7H16.C6H14.C5H12/c1-3-5-7-8-6-4-2;1-3-5-7-6-4-2;1-3-5-6-4-2;1-3-5-4-2/h3-8H2,1-2H3;3-7H2,1-2H3;3-6H2,1-2H3;3-5H2,1-2H3
InChIKeyKQXRGGCFMMDKFR-UHFFFAOYSA-N
XLogP11.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.77
LogP ≤ 511.13
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

tetrakis(nonane);bis(pentane)
CID 158390230
octane;pentane
CID 19101448
ethane;heptane;pentane
CID 142269041
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341

Frequently Asked Questions

What is the IUPAC name of heptane;hexane;octane;pentane?
The IUPAC name of heptane;hexane;octane;pentane (CID 159214735) is heptane;hexane;octane;pentane.
What is the SMILES notation for heptane;hexane;octane;pentane?
The canonical SMILES for heptane;hexane;octane;pentane is CCCCC.CCCCCC.CCCCCCC.CCCCCCCC.
What is the InChIKey of heptane;hexane;octane;pentane?
The InChIKey is KQXRGGCFMMDKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C7H16.C6H14.C5H12/c1-3-5-7-8-6-4-2;1-3-5-7-6-4-2;1-3-5-6-4-2;1-3-5-4-2/h3-8H2,1-2H3;3-7H2,1-2H3;3-6H2,1-2H3;3-5H2,1-2H3.
What are the key properties of heptane;hexane;octane;pentane?
heptane;hexane;octane;pentane has a molecular weight of 372.77 g/mol, XLogP of 11.13, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptane;hexane;octane;pentane is sourced from PubChem (CID 159214735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).