butane;but-2-ene;methoxyethane;1-methoxypropane;pentane

C20H48O2 — CID 158384560

IUPACbutane;but-2-ene;methoxyethane;1-methoxypropane;pentane
SMILESCC=CC.CCCC.CCCCC.CCCOC.CCOC
InChIInChI=1S/C5H12.C4H10O.C4H10.C4H8.C3H8O/c1-3-5-4-2;1-3-4-5-2;3*1-3-4-2/h3-5H2,1-2H3;3-4H2,1-2H3;3-4H2,1-2H3;3-4H,1-2H3;3H2,1-2H3
InChIKeyGWFCSWCYQYVWGE-UHFFFAOYSA-N
MW320.60 g/mol
LogP7.28
Rot. Bonds6

About butane;but-2-ene;methoxyethane;1-methoxypropane;pentane

butane;but-2-ene;methoxyethane;1-methoxypropane;pentane (PubChem CID 158384560) has the molecular formula C20H48O2 and a molecular weight of 320.60 g/mol. Its IUPAC name is butane;but-2-ene;methoxyethane;1-methoxypropane;pentane.

Molecular Properties

Compound Namebutane;but-2-ene;methoxyethane;1-methoxypropane;pentane
PubChem CID158384560
Molecular FormulaC20H48O2
Molecular Weight320.60 g/mol
Exact Mass320.37
IUPAC Namebutane;but-2-ene;methoxyethane;1-methoxypropane;pentane
SMILESCC=CC.CCCC.CCCCC.CCCOC.CCOC
InChIInChI=1S/C5H12.C4H10O.C4H10.C4H8.C3H8O/c1-3-5-4-2;1-3-4-5-2;3*1-3-4-2/h3-5H2,1-2H3;3-4H2,1-2H3;3-4H2,1-2H3;3-4H,1-2H3;3H2,1-2H3
InChIKeyGWFCSWCYQYVWGE-UHFFFAOYSA-N
XLogP7.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.60
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butane;but-2-ene;methoxyethane;1-methoxypropane;pentane?
The IUPAC name of butane;but-2-ene;methoxyethane;1-methoxypropane;pentane (CID 158384560) is butane;but-2-ene;methoxyethane;1-methoxypropane;pentane.
What is the SMILES notation for butane;but-2-ene;methoxyethane;1-methoxypropane;pentane?
The canonical SMILES for butane;but-2-ene;methoxyethane;1-methoxypropane;pentane is CC=CC.CCCC.CCCCC.CCCOC.CCOC.
What is the InChIKey of butane;but-2-ene;methoxyethane;1-methoxypropane;pentane?
The InChIKey is GWFCSWCYQYVWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C4H10O.C4H10.C4H8.C3H8O/c1-3-5-4-2;1-3-4-5-2;3*1-3-4-2/h3-5H2,1-2H3;3-4H2,1-2H3;3-4H2,1-2H3;3-4H,1-2H3;3H2,1-2H3.
What are the key properties of butane;but-2-ene;methoxyethane;1-methoxypropane;pentane?
butane;but-2-ene;methoxyethane;1-methoxypropane;pentane has a molecular weight of 320.60 g/mol, XLogP of 7.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;but-2-ene;methoxyethane;1-methoxypropane;pentane is sourced from PubChem (CID 158384560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).