formaldehyde;methyl 2-methylprop-2-enoate;methyl propanoate;hydrate

C10H20O6 — CID 20535483

IUPACformaldehyde;methyl 2-methylprop-2-enoate;methyl propanoate;hydrate
SMILESC=C(C)C(=O)OC.C=O.CCC(=O)OC.O
InChIInChI=1S/C5H8O2.C4H8O2.CH2O.H2O/c1-4(2)5(6)7-3;1-3-4(5)6-2;1-2;/h1H2,2-3H3;3H2,1-2H3;1H2;1H2
InChIKeyXNHYMPWXJADWDM-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.30
Rot. Bonds2

About formaldehyde;methyl 2-methylprop-2-enoate;methyl propanoate;hydrate

formaldehyde;methyl 2-methylprop-2-enoate;methyl propanoate;hydrate (PubChem CID 20535483) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is formaldehyde;methyl 2-methylprop-2-enoate;methyl propanoate;hydrate.

Molecular Properties

Compound Nameformaldehyde;methyl 2-methylprop-2-enoate;methyl propanoate;hydrate
PubChem CID20535483
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Nameformaldehyde;methyl 2-methylprop-2-enoate;methyl propanoate;hydrate
SMILESC=C(C)C(=O)OC.C=O.CCC(=O)OC.O
InChIInChI=1S/C5H8O2.C4H8O2.CH2O.H2O/c1-4(2)5(6)7-3;1-3-4(5)6-2;1-2;/h1H2,2-3H3;3H2,1-2H3;1H2;1H2
InChIKeyXNHYMPWXJADWDM-UHFFFAOYSA-N
XLogP0.30
TPSA101.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 91174955
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CID 18939878
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CID 158704529
2-methylidenebutanoic acid;N-methylmethanamine;methyl 2-methylprop-2-enoate
CID 175091133
1,2-dimethoxyethane;methyl 2-methylprop-2-enoate
CID 175106203
methyl 2-methylidenebutanoate;propan-2-one
CID 174771904
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azane;ethane;bis(methyl 2-methylprop-2-enoate)
CID 173203662

Frequently Asked Questions

What is the IUPAC name of formaldehyde;methyl 2-methylprop-2-enoate;methyl propanoate;hydrate?
The IUPAC name of formaldehyde;methyl 2-methylprop-2-enoate;methyl propanoate;hydrate (CID 20535483) is formaldehyde;methyl 2-methylprop-2-enoate;methyl propanoate;hydrate.
What is the SMILES notation for formaldehyde;methyl 2-methylprop-2-enoate;methyl propanoate;hydrate?
The canonical SMILES for formaldehyde;methyl 2-methylprop-2-enoate;methyl propanoate;hydrate is C=C(C)C(=O)OC.C=O.CCC(=O)OC.O.
What is the InChIKey of formaldehyde;methyl 2-methylprop-2-enoate;methyl propanoate;hydrate?
The InChIKey is XNHYMPWXJADWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C4H8O2.CH2O.H2O/c1-4(2)5(6)7-3;1-3-4(5)6-2;1-2;/h1H2,2-3H3;3H2,1-2H3;1H2;1H2.
What are the key properties of formaldehyde;methyl 2-methylprop-2-enoate;methyl propanoate;hydrate?
formaldehyde;methyl 2-methylprop-2-enoate;methyl propanoate;hydrate has a molecular weight of 236.26 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;methyl 2-methylprop-2-enoate;methyl propanoate;hydrate is sourced from PubChem (CID 20535483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).