butane;ethane;3-ethylnonane;heptane;hexane;2-methylbutane;2-methylpropane;nonane;octane;pentane;propane

C64H150 — CID 159422954

IUPACbutane;ethane;3-ethylnonane;heptane;hexane;2-methylbutane;2-methylpropane;nonane;octane;pentane;propane
SMILESCC.CC(C)C.CCC.CCC(C)C.CCCC.CCCCC.CCCCCC.CCCCCCC.CCCCCCC(CC)CC.CCCCCCCC.CCCCCCCCC
InChIInChI=1S/C11H24.C9H20.C8H18.C7H16.C6H14.2C5H12.2C4H10.C3H8.C2H6/c1-4-7-8-9-10-11(5-2)6-3;1-3-5-7-9-8-6-4-2;1-3-5-7-8-6-4-2;1-3-5-7-6-4-2;1-3-5-6-4-2;1-4-5(2)3;1-3-5-4-2;1-4(2)3;1-3-4-2;1-3-2;1-2/h11H,4-10H2,1-3H3;3-9H2,1-2H3;3-8H2,1-2H3;3-7H2,1-2H3;3-6H2,1-2H3;5H,4H2,1-3H3;3-5H2,1-2H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyLPZKXKFHEIBNSS-UHFFFAOYSA-N
MW919.90 g/mol
LogP27.24
Rot. Bonds29

About butane;ethane;3-ethylnonane;heptane;hexane;2-methylbutane;2-methylpropane;nonane;octane;pentane;propane

butane;ethane;3-ethylnonane;heptane;hexane;2-methylbutane;2-methylpropane;nonane;octane;pentane;propane (PubChem CID 159422954) has the molecular formula C64H150 and a molecular weight of 919.90 g/mol. Its IUPAC name is butane;ethane;3-ethylnonane;heptane;hexane;2-methylbutane;2-methylpropane;nonane;octane;pentane;propane.

Molecular Properties

Compound Namebutane;ethane;3-ethylnonane;heptane;hexane;2-methylbutane;2-methylpropane;nonane;octane;pentane;propane
PubChem CID159422954
Molecular FormulaC64H150
Molecular Weight919.90 g/mol
Exact Mass919.17
IUPAC Namebutane;ethane;3-ethylnonane;heptane;hexane;2-methylbutane;2-methylpropane;nonane;octane;pentane;propane
SMILESCC.CC(C)C.CCC.CCC(C)C.CCCC.CCCCC.CCCCCC.CCCCCCC.CCCCCCC(CC)CC.CCCCCCCC.CCCCCCCCC
InChIInChI=1S/C11H24.C9H20.C8H18.C7H16.C6H14.2C5H12.2C4H10.C3H8.C2H6/c1-4-7-8-9-10-11(5-2)6-3;1-3-5-7-9-8-6-4-2;1-3-5-7-8-6-4-2;1-3-5-7-6-4-2;1-3-5-6-4-2;1-4-5(2)3;1-3-5-4-2;1-4(2)3;1-3-4-2;1-3-2;1-2/h11H,4-10H2,1-3H3;3-9H2,1-2H3;3-8H2,1-2H3;3-7H2,1-2H3;3-6H2,1-2H3;5H,4H2,1-3H3;3-5H2,1-2H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyLPZKXKFHEIBNSS-UHFFFAOYSA-N
XLogP27.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds29
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.90
LogP ≤ 527.24
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 144815521
3-ethyloctane;propane
CID 143682929
3-ethylpentacosane
CID 22224239
3-ethylicosane
CID 528487
2,2-dimethylpropane;ethane;3-ethylheptane;9-ethylnonadecane;7-ethylpentadecane;2-methylpentane;propane
CID 159772745
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
hexane;2-methylbutane;2-methylpropane;pentane
CID 160929547
4-ethyl-2-methyldecane
CID 19893744
ethane;2-methyloctane;pentane
CID 144527652

Frequently Asked Questions

What is the IUPAC name of butane;ethane;3-ethylnonane;heptane;hexane;2-methylbutane;2-methylpropane;nonane;octane;pentane;propane?
The IUPAC name of butane;ethane;3-ethylnonane;heptane;hexane;2-methylbutane;2-methylpropane;nonane;octane;pentane;propane (CID 159422954) is butane;ethane;3-ethylnonane;heptane;hexane;2-methylbutane;2-methylpropane;nonane;octane;pentane;propane.
What is the SMILES notation for butane;ethane;3-ethylnonane;heptane;hexane;2-methylbutane;2-methylpropane;nonane;octane;pentane;propane?
The canonical SMILES for butane;ethane;3-ethylnonane;heptane;hexane;2-methylbutane;2-methylpropane;nonane;octane;pentane;propane is CC.CC(C)C.CCC.CCC(C)C.CCCC.CCCCC.CCCCCC.CCCCCCC.CCCCCCC(CC)CC.CCCCCCCC.CCCCCCCCC.
What is the InChIKey of butane;ethane;3-ethylnonane;heptane;hexane;2-methylbutane;2-methylpropane;nonane;octane;pentane;propane?
The InChIKey is LPZKXKFHEIBNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24.C9H20.C8H18.C7H16.C6H14.2C5H12.2C4H10.C3H8.C2H6/c1-4-7-8-9-10-11(5-2)6-3;1-3-5-7-9-8-6-4-2;1-3-5-7-8-6-4-2;1-3-5-7-6-4-2;1-3-5-6-4-2;1-4-5(2)3;1-3-5-4-2;1-4(2)3;1-3-4-2;1-3-2;1-2/h11H,4-10H2,1-3H3;3-9H2,1-2H3;3-8H2,1-2H3;3-7H2,1-2H3;3-6H2,1-2H3;5H,4H2,1-3H3;3-5H2,1-2H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of butane;ethane;3-ethylnonane;heptane;hexane;2-methylbutane;2-methylpropane;nonane;octane;pentane;propane?
butane;ethane;3-ethylnonane;heptane;hexane;2-methylbutane;2-methylpropane;nonane;octane;pentane;propane has a molecular weight of 919.90 g/mol, XLogP of 27.24, 29 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;3-ethylnonane;heptane;hexane;2-methylbutane;2-methylpropane;nonane;octane;pentane;propane is sourced from PubChem (CID 159422954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).