deuterium monohydride;methyl 2-methylprop-2-enoate

C5H10O2 — CID 161063033

IUPACdeuterium monohydride;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.[H][2H]
InChIInChI=1S/C5H8O2.H2/c1-4(2)5(6)7-3;/h1H2,2-3H3;1H/i;1+1
InChIKeyUDQKZZFJXDWNPP-IEOVAKBOSA-N
MW103.14 g/mol
LogP0.98
Rot. Bonds1

About deuterium monohydride;methyl 2-methylprop-2-enoate

deuterium monohydride;methyl 2-methylprop-2-enoate (PubChem CID 161063033) has the molecular formula C5H10O2 and a molecular weight of 103.14 g/mol. Its IUPAC name is deuterium monohydride;methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namedeuterium monohydride;methyl 2-methylprop-2-enoate
PubChem CID161063033
Molecular FormulaC5H10O2
Molecular Weight103.14 g/mol
Exact Mass103.07
IUPAC Namedeuterium monohydride;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.[H][2H]
InChIInChI=1S/C5H8O2.H2/c1-4(2)5(6)7-3;/h1H2,2-3H3;1H/i;1+1
InChIKeyUDQKZZFJXDWNPP-IEOVAKBOSA-N
XLogP0.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.14
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219
methyl 2-methylprop-2-enoate;nickel
CID 88732958
methyl 2-methylprop-2-enoate;propan-2-one
CID 18939878
methyl 2-methylprop-2-enoate;phosphane
CID 158704529
methyl 2-methylprop-2-enoate;polane
CID 173074189
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239
azane;ethane;bis(methyl 2-methylprop-2-enoate)
CID 173203662
carbonodithioic S,S-acid;methyl 2-methylprop-2-enoate
CID 87195360
1,2-dimethoxyethane;methyl 2-methylprop-2-enoate
CID 175106203
acetic acid;acetylene;methyl 2-methylprop-2-enoate
CID 88821199
methyl 2-methylprop-2-enoate;tribromobismuthane
CID 88520030
methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;trihydrochloride
CID 172746567

Frequently Asked Questions

What is the IUPAC name of deuterium monohydride;methyl 2-methylprop-2-enoate?
The IUPAC name of deuterium monohydride;methyl 2-methylprop-2-enoate (CID 161063033) is deuterium monohydride;methyl 2-methylprop-2-enoate.
What is the SMILES notation for deuterium monohydride;methyl 2-methylprop-2-enoate?
The canonical SMILES for deuterium monohydride;methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC.[H][2H].
What is the InChIKey of deuterium monohydride;methyl 2-methylprop-2-enoate?
The InChIKey is UDQKZZFJXDWNPP-IEOVAKBOSA-N. The full InChI is InChI=1S/C5H8O2.H2/c1-4(2)5(6)7-3;/h1H2,2-3H3;1H/i;1+1.
What are the key properties of deuterium monohydride;methyl 2-methylprop-2-enoate?
deuterium monohydride;methyl 2-methylprop-2-enoate has a molecular weight of 103.14 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for deuterium monohydride;methyl 2-methylprop-2-enoate is sourced from PubChem (CID 161063033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).