methane;methoxyethane;(E)-pent-3-en-2-one;pent-2-yne

C14H28O2 — CID 158267210

IUPACmethane;methoxyethane;(E)-pent-3-en-2-one;pent-2-yne
SMILESC.C/C=C/C(C)=O.CC#CCC.CCOC
InChIInChI=1S/C5H8O.C5H8.C3H8O.CH4/c1-3-4-5(2)6;1-3-5-4-2;1-3-4-2;/h3-4H,1-2H3;3H2,1-2H3;3H2,1-2H3;1H4/b4-3+;;;
InChIKeyGIPCXVJTOUXFQB-FHJHGPAASA-N
MW228.38 g/mol
LogP3.86
Rot. Bonds2

About methane;methoxyethane;(E)-pent-3-en-2-one;pent-2-yne

methane;methoxyethane;(E)-pent-3-en-2-one;pent-2-yne (PubChem CID 158267210) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is methane;methoxyethane;(E)-pent-3-en-2-one;pent-2-yne.

Molecular Properties

Compound Namemethane;methoxyethane;(E)-pent-3-en-2-one;pent-2-yne
PubChem CID158267210
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Namemethane;methoxyethane;(E)-pent-3-en-2-one;pent-2-yne
SMILESC.C/C=C/C(C)=O.CC#CCC.CCOC
InChIInChI=1S/C5H8O.C5H8.C3H8O.CH4/c1-3-4-5(2)6;1-3-5-4-2;1-3-4-2;/h3-4H,1-2H3;3H2,1-2H3;3H2,1-2H3;1H4/b4-3+;;;
InChIKeyGIPCXVJTOUXFQB-FHJHGPAASA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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methane;methoxyethane;1-methoxypropane;pentane;pent-2-ene;pent-2-yne
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CID 165013869
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CID 103453391
methane;methoxyethane
CID 158573885
butan-2-one;methoxyethane;propane
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CID 157259516

Frequently Asked Questions

What is the IUPAC name of methane;methoxyethane;(E)-pent-3-en-2-one;pent-2-yne?
The IUPAC name of methane;methoxyethane;(E)-pent-3-en-2-one;pent-2-yne (CID 158267210) is methane;methoxyethane;(E)-pent-3-en-2-one;pent-2-yne.
What is the SMILES notation for methane;methoxyethane;(E)-pent-3-en-2-one;pent-2-yne?
The canonical SMILES for methane;methoxyethane;(E)-pent-3-en-2-one;pent-2-yne is C.C/C=C/C(C)=O.CC#CCC.CCOC.
What is the InChIKey of methane;methoxyethane;(E)-pent-3-en-2-one;pent-2-yne?
The InChIKey is GIPCXVJTOUXFQB-FHJHGPAASA-N. The full InChI is InChI=1S/C5H8O.C5H8.C3H8O.CH4/c1-3-4-5(2)6;1-3-5-4-2;1-3-4-2;/h3-4H,1-2H3;3H2,1-2H3;3H2,1-2H3;1H4/b4-3+;;;.
What are the key properties of methane;methoxyethane;(E)-pent-3-en-2-one;pent-2-yne?
methane;methoxyethane;(E)-pent-3-en-2-one;pent-2-yne has a molecular weight of 228.38 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methoxyethane;(E)-pent-3-en-2-one;pent-2-yne is sourced from PubChem (CID 158267210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).