methyl 2-methylprop-2-enoate;polane

C5H10O2Po — CID 173074189

IUPACmethyl 2-methylprop-2-enoate;polane
SMILESC=C(C)C(=O)OC.[PoH2]
InChIInChI=1S/C5H8O2.Po.2H/c1-4(2)5(6)7-3;;;/h1H2,2-3H3;;;
InChIKeyDHJQQOBBOPIABV-UHFFFAOYSA-N
MW311.13 g/mol
LogP-0.18
Rot. Bonds1

About methyl 2-methylprop-2-enoate;polane

methyl 2-methylprop-2-enoate;polane (PubChem CID 173074189) has the molecular formula C5H10O2Po and a molecular weight of 311.13 g/mol. Its IUPAC name is methyl 2-methylprop-2-enoate;polane.

Molecular Properties

Compound Namemethyl 2-methylprop-2-enoate;polane
PubChem CID173074189
Molecular FormulaC5H10O2Po
Molecular Weight311.13 g/mol
Exact Mass311.05
IUPAC Namemethyl 2-methylprop-2-enoate;polane
SMILESC=C(C)C(=O)OC.[PoH2]
InChIInChI=1S/C5H8O2.Po.2H/c1-4(2)5(6)7-3;;;/h1H2,2-3H3;;;
InChIKeyDHJQQOBBOPIABV-UHFFFAOYSA-N
XLogP-0.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.13
LogP ≤ 5-0.18
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
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239
azane;ethane;bis(methyl 2-methylprop-2-enoate)
CID 173203662
deuterium monohydride;methyl 2-methylprop-2-enoate
CID 161063033
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 methyl 2-methylprop-2-enoate;polane?
The IUPAC name of methyl 2-methylprop-2-enoate;polane (CID 173074189) is methyl 2-methylprop-2-enoate;polane.
What is the SMILES notation for methyl 2-methylprop-2-enoate;polane?
The canonical SMILES for methyl 2-methylprop-2-enoate;polane is C=C(C)C(=O)OC.[PoH2].
What is the InChIKey of methyl 2-methylprop-2-enoate;polane?
The InChIKey is DHJQQOBBOPIABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.Po.2H/c1-4(2)5(6)7-3;;;/h1H2,2-3H3;;;.
What are the key properties of methyl 2-methylprop-2-enoate;polane?
methyl 2-methylprop-2-enoate;polane has a molecular weight of 311.13 g/mol, XLogP of -0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylprop-2-enoate;polane is sourced from PubChem (CID 173074189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).