ethane;formaldehyde;methane;methoxyethane;bis(3-methoxypent-1-yne)

C23H50O6 — CID 159393475

IUPACethane;formaldehyde;methane;methoxyethane;bis(3-methoxypent-1-yne)
SMILESC.C#CC(CC)OC.C#CC(CC)OC.C=O.C=O.CC.CCOC.CCOC
InChIInChI=1S/2C6H10O.2C3H8O.C2H6.2CH2O.CH4/c2*1-4-6(5-2)7-3;2*1-3-4-2;3*1-2;/h2*1,6H,5H2,2-3H3;2*3H2,1-2H3;1-2H3;2*1H2;1H4
InChIKeyLMKNCBUELZHIPR-UHFFFAOYSA-N
MW422.65 g/mol
LogP4.69
Rot. Bonds6

About ethane;formaldehyde;methane;methoxyethane;bis(3-methoxypent-1-yne)

ethane;formaldehyde;methane;methoxyethane;bis(3-methoxypent-1-yne) (PubChem CID 159393475) has the molecular formula C23H50O6 and a molecular weight of 422.65 g/mol. Its IUPAC name is ethane;formaldehyde;methane;methoxyethane;bis(3-methoxypent-1-yne).

Molecular Properties

Compound Nameethane;formaldehyde;methane;methoxyethane;bis(3-methoxypent-1-yne)
PubChem CID159393475
Molecular FormulaC23H50O6
Molecular Weight422.65 g/mol
Exact Mass422.36
IUPAC Nameethane;formaldehyde;methane;methoxyethane;bis(3-methoxypent-1-yne)
SMILESC.C#CC(CC)OC.C#CC(CC)OC.C=O.C=O.CC.CCOC.CCOC
InChIInChI=1S/2C6H10O.2C3H8O.C2H6.2CH2O.CH4/c2*1-4-6(5-2)7-3;2*1-3-4-2;3*1-2;/h2*1,6H,5H2,2-3H3;2*3H2,1-2H3;1-2H3;2*1H2;1H4
InChIKeyLMKNCBUELZHIPR-UHFFFAOYSA-N
XLogP4.69
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.65
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 10796716
methane;methoxyethane
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CID 174370675
(3R)-3-methoxypent-4-ynoic acid
CID 10606755
pent-1-yn-3-yl hydrogen carbonate
CID 89437565
3-butan-2-yloxypent-1-yne
CID 89195467
3-(2-methoxyethoxymethoxy)pent-1-yne
CID 12043596
(3S)-3-[(2-methylpropan-2-yl)oxy]pent-1-yne
CID 134890457
ethane;methoxyethane;2-methylpropane
CID 144654475
ethene;methoxyethane
CID 162163830
tert-butyl-(2-methoxybut-3-ynoxy)-dimethylsilane
CID 131742760
3-methoxy-4-(sulfinoamino)but-1-yne
CID 91182184

Frequently Asked Questions

What is the IUPAC name of ethane;formaldehyde;methane;methoxyethane;bis(3-methoxypent-1-yne)?
The IUPAC name of ethane;formaldehyde;methane;methoxyethane;bis(3-methoxypent-1-yne) (CID 159393475) is ethane;formaldehyde;methane;methoxyethane;bis(3-methoxypent-1-yne).
What is the SMILES notation for ethane;formaldehyde;methane;methoxyethane;bis(3-methoxypent-1-yne)?
The canonical SMILES for ethane;formaldehyde;methane;methoxyethane;bis(3-methoxypent-1-yne) is C.C#CC(CC)OC.C#CC(CC)OC.C=O.C=O.CC.CCOC.CCOC.
What is the InChIKey of ethane;formaldehyde;methane;methoxyethane;bis(3-methoxypent-1-yne)?
The InChIKey is LMKNCBUELZHIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H10O.2C3H8O.C2H6.2CH2O.CH4/c2*1-4-6(5-2)7-3;2*1-3-4-2;3*1-2;/h2*1,6H,5H2,2-3H3;2*3H2,1-2H3;1-2H3;2*1H2;1H4.
What are the key properties of ethane;formaldehyde;methane;methoxyethane;bis(3-methoxypent-1-yne)?
ethane;formaldehyde;methane;methoxyethane;bis(3-methoxypent-1-yne) has a molecular weight of 422.65 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formaldehyde;methane;methoxyethane;bis(3-methoxypent-1-yne) is sourced from PubChem (CID 159393475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).