ethane;N-methylformamide;octane

C12H29NO — CID 164590964

IUPACethane;N-methylformamide;octane
SMILESCC.CCCCCCCC.CNC=O
InChIInChI=1S/C8H18.C2H5NO.C2H6/c1-3-5-7-8-6-4-2;1-3-2-4;1-2/h3-8H2,1-2H3;2H,1H3,(H,3,4);1-2H3
InChIKeyOXVSSUYWVOBYKM-UHFFFAOYSA-N
MW203.37 g/mol
LogP3.76
Rot. Bonds6

About ethane;N-methylformamide;octane

ethane;N-methylformamide;octane (PubChem CID 164590964) has the molecular formula C12H29NO and a molecular weight of 203.37 g/mol. Its IUPAC name is ethane;N-methylformamide;octane.

Molecular Properties

Compound Nameethane;N-methylformamide;octane
PubChem CID164590964
Molecular FormulaC12H29NO
Molecular Weight203.37 g/mol
Exact Mass203.22
IUPAC Nameethane;N-methylformamide;octane
SMILESCC.CCCCCCCC.CNC=O
InChIInChI=1S/C8H18.C2H5NO.C2H6/c1-3-5-7-8-6-4-2;1-3-2-4;1-2/h3-8H2,1-2H3;2H,1H3,(H,3,4);1-2H3
InChIKeyOXVSSUYWVOBYKM-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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ethane;methane;octane
CID 158155293
butane;ethane;heptane
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Frequently Asked Questions

What is the IUPAC name of ethane;N-methylformamide;octane?
The IUPAC name of ethane;N-methylformamide;octane (CID 164590964) is ethane;N-methylformamide;octane.
What is the SMILES notation for ethane;N-methylformamide;octane?
The canonical SMILES for ethane;N-methylformamide;octane is CC.CCCCCCCC.CNC=O.
What is the InChIKey of ethane;N-methylformamide;octane?
The InChIKey is OXVSSUYWVOBYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C2H5NO.C2H6/c1-3-5-7-8-6-4-2;1-3-2-4;1-2/h3-8H2,1-2H3;2H,1H3,(H,3,4);1-2H3.
What are the key properties of ethane;N-methylformamide;octane?
ethane;N-methylformamide;octane has a molecular weight of 203.37 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylformamide;octane is sourced from PubChem (CID 164590964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).