ethane;2-methyloctane;pentane

C22H56 — CID 144527652

IUPACethane;2-methyloctane;pentane
SMILESCC.CC.CC.CC.CCCCC.CCCCCCC(C)C
InChIInChI=1S/C9H20.C5H12.4C2H6/c1-4-5-6-7-8-9(2)3;1-3-5-4-2;4*1-2/h9H,4-8H2,1-3H3;3-5H2,1-2H3;4*1-2H3
InChIKeyUJVZNHQFWUOVOZ-UHFFFAOYSA-N
MW320.69 g/mol
LogP9.91
Rot. Bonds7

About ethane;2-methyloctane;pentane

ethane;2-methyloctane;pentane (PubChem CID 144527652) has the molecular formula C22H56 and a molecular weight of 320.69 g/mol. Its IUPAC name is ethane;2-methyloctane;pentane.

Molecular Properties

Compound Nameethane;2-methyloctane;pentane
PubChem CID144527652
Molecular FormulaC22H56
Molecular Weight320.69 g/mol
Exact Mass320.44
IUPAC Nameethane;2-methyloctane;pentane
SMILESCC.CC.CC.CC.CCCCC.CCCCCCC(C)C
InChIInChI=1S/C9H20.C5H12.4C2H6/c1-4-5-6-7-8-9(2)3;1-3-5-4-2;4*1-2/h9H,4-8H2,1-3H3;3-5H2,1-2H3;4*1-2H3
InChIKeyUJVZNHQFWUOVOZ-UHFFFAOYSA-N
XLogP9.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.69
LogP ≤ 59.91
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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alumane;2-methyldecane
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azane;2-methyloctadecane
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2-methylnonane;heptahydrofluoride
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methane;2-methylicosane
CID 157337652
2-methyltricosane;hydrate
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2-methylheptadecane;hydrobromide
CID 174866228
ethane;methane;2-methylheptane;propane
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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyloctane;pentane?
The IUPAC name of ethane;2-methyloctane;pentane (CID 144527652) is ethane;2-methyloctane;pentane.
What is the SMILES notation for ethane;2-methyloctane;pentane?
The canonical SMILES for ethane;2-methyloctane;pentane is CC.CC.CC.CC.CCCCC.CCCCCCC(C)C.
What is the InChIKey of ethane;2-methyloctane;pentane?
The InChIKey is UJVZNHQFWUOVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.C5H12.4C2H6/c1-4-5-6-7-8-9(2)3;1-3-5-4-2;4*1-2/h9H,4-8H2,1-3H3;3-5H2,1-2H3;4*1-2H3.
What are the key properties of ethane;2-methyloctane;pentane?
ethane;2-methyloctane;pentane has a molecular weight of 320.69 g/mol, XLogP of 9.91, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyloctane;pentane is sourced from PubChem (CID 144527652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).