methane;methoxyethane;1-methoxypropane;pentane;pent-2-ene;pent-2-yne

C28H72O2 — CID 161498639

IUPACmethane;methoxyethane;1-methoxypropane;pentane;pent-2-ene;pent-2-yne
SMILESC.C.C.C.C.C.CC#CCC.CC=CCC.CCCCC.CCCOC.CCOC
InChIInChI=1S/C5H12.C5H10.C5H8.C4H10O.C3H8O.6CH4/c3*1-3-5-4-2;1-3-4-5-2;1-3-4-2;;;;;;/h3-5H2,1-2H3;3,5H,4H2,1-2H3;3H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3;6*1H4
InChIKeyWGNXCUSGSIAHMY-UHFFFAOYSA-N
MW440.88 g/mol
LogP11.10
Rot. Bonds6

About methane;methoxyethane;1-methoxypropane;pentane;pent-2-ene;pent-2-yne

methane;methoxyethane;1-methoxypropane;pentane;pent-2-ene;pent-2-yne (PubChem CID 161498639) has the molecular formula C28H72O2 and a molecular weight of 440.88 g/mol. Its IUPAC name is methane;methoxyethane;1-methoxypropane;pentane;pent-2-ene;pent-2-yne.

Molecular Properties

Compound Namemethane;methoxyethane;1-methoxypropane;pentane;pent-2-ene;pent-2-yne
PubChem CID161498639
Molecular FormulaC28H72O2
Molecular Weight440.88 g/mol
Exact Mass440.55
IUPAC Namemethane;methoxyethane;1-methoxypropane;pentane;pent-2-ene;pent-2-yne
SMILESC.C.C.C.C.C.CC#CCC.CC=CCC.CCCCC.CCCOC.CCOC
InChIInChI=1S/C5H12.C5H10.C5H8.C4H10O.C3H8O.6CH4/c3*1-3-5-4-2;1-3-4-5-2;1-3-4-2;;;;;;/h3-5H2,1-2H3;3,5H,4H2,1-2H3;3H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3;6*1H4
InChIKeyWGNXCUSGSIAHMY-UHFFFAOYSA-N
XLogP11.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.88
LogP ≤ 511.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methane;methoxyethane;1-methoxypropane;pentane;pent-2-ene;pent-2-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;methoxyethane;bis(1-methoxypropane);pentane;pent-2-ene;pent-2-yne
CID 159526696
butane;but-2-ene;methoxyethane;1-methoxypropane;pentane
CID 158384560
butane;butan-2-ol;methane;methoxyethane;methoxysulfanylethane;2-methylbut-1-ene;pent-2-ene;pent-2-yne
CID 158525668
methane;methoxyethane;(E)-pent-3-en-2-one;pent-2-yne
CID 158267210
hexane;(Z)-pent-2-ene;tetrahydrate
CID 176555754
(E)-1-methoxypent-2-ene;1-methoxypropane
CID 159933268
but-2-yne;1-methoxypropane;molecular hydrogen;hydrate
CID 159701527
6-propoxyhex-2-ene
CID 90940271
(Z)-5-methoxypent-2-ene
CID 59946556
non-2-en-6-yne
CID 173362108
(Z)-1-methoxynon-4-ene
CID 59123720
ethane;methane;methoxymethane;1-methoxypropane
CID 159822754

Frequently Asked Questions

What is the IUPAC name of methane;methoxyethane;1-methoxypropane;pentane;pent-2-ene;pent-2-yne?
The IUPAC name of methane;methoxyethane;1-methoxypropane;pentane;pent-2-ene;pent-2-yne (CID 161498639) is methane;methoxyethane;1-methoxypropane;pentane;pent-2-ene;pent-2-yne.
What is the SMILES notation for methane;methoxyethane;1-methoxypropane;pentane;pent-2-ene;pent-2-yne?
The canonical SMILES for methane;methoxyethane;1-methoxypropane;pentane;pent-2-ene;pent-2-yne is C.C.C.C.C.C.CC#CCC.CC=CCC.CCCCC.CCCOC.CCOC.
What is the InChIKey of methane;methoxyethane;1-methoxypropane;pentane;pent-2-ene;pent-2-yne?
The InChIKey is WGNXCUSGSIAHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C5H10.C5H8.C4H10O.C3H8O.6CH4/c3*1-3-5-4-2;1-3-4-5-2;1-3-4-2;;;;;;/h3-5H2,1-2H3;3,5H,4H2,1-2H3;3H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3;6*1H4.
What are the key properties of methane;methoxyethane;1-methoxypropane;pentane;pent-2-ene;pent-2-yne?
methane;methoxyethane;1-methoxypropane;pentane;pent-2-ene;pent-2-yne has a molecular weight of 440.88 g/mol, XLogP of 11.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methoxyethane;1-methoxypropane;pentane;pent-2-ene;pent-2-yne is sourced from PubChem (CID 161498639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).