sodium;2-methylprop-2-enoate;styrene

C12H13NaO2 — CID 67136540

IUPACsodium;2-methylprop-2-enoate;styrene
SMILESC=C(C)C(=O)[O-].C=Cc1ccccc1.[Na+]
InChIInChI=1S/C8H8.C4H6O2.Na/c1-2-8-6-4-3-5-7-8;1-3(2)4(5)6;/h2-7H,1H2;1H2,2H3,(H,5,6);/q;;+1/p-1
InChIKeyHFKVQOOAQSENTP-UHFFFAOYSA-M
MW212.22 g/mol
LogP-1.35
Rot. Bonds2

About sodium;2-methylprop-2-enoate;styrene

sodium;2-methylprop-2-enoate;styrene (PubChem CID 67136540) has the molecular formula C12H13NaO2 and a molecular weight of 212.22 g/mol. Its IUPAC name is sodium;2-methylprop-2-enoate;styrene.

Molecular Properties

Compound Namesodium;2-methylprop-2-enoate;styrene
PubChem CID67136540
Molecular FormulaC12H13NaO2
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Namesodium;2-methylprop-2-enoate;styrene
SMILESC=C(C)C(=O)[O-].C=Cc1ccccc1.[Na+]
InChIInChI=1S/C8H8.C4H6O2.Na/c1-2-8-6-4-3-5-7-8;1-3(2)4(5)6;/h2-7H,1H2;1H2,2H3,(H,5,6);/q;;+1/p-1
InChIKeyHFKVQOOAQSENTP-UHFFFAOYSA-M
XLogP-1.35
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 5-1.35
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

ethane;2-methylprop-2-enoic acid;styrene
CID 174478215
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CID 173015900
calcium;1,2-bis(ethenyl)benzene;bis(2-methylprop-2-enoate)
CID 161431336
sodium;prop-2-enoic acid;prop-1-en-2-ylbenzene;styrene
CID 56843857
anthracene;2-methylprop-2-enoic acid;styrene
CID 159809199
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CID 163806706
buta-1,3-diene;2-methylprop-1-ene;styrene
CID 159487182
2-hydroxyprop-2-enoic acid;styrene
CID 67611169
chloroform;propan-2-one;styrene
CID 70453221
1-phenylethanone;styrene
CID 19811140
2-methylbuta-1,3-diene;styrene;hydrate
CID 87249473
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Frequently Asked Questions

What is the IUPAC name of sodium;2-methylprop-2-enoate;styrene?
The IUPAC name of sodium;2-methylprop-2-enoate;styrene (CID 67136540) is sodium;2-methylprop-2-enoate;styrene.
What is the SMILES notation for sodium;2-methylprop-2-enoate;styrene?
The canonical SMILES for sodium;2-methylprop-2-enoate;styrene is C=C(C)C(=O)[O-].C=Cc1ccccc1.[Na+].
What is the InChIKey of sodium;2-methylprop-2-enoate;styrene?
The InChIKey is HFKVQOOAQSENTP-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8.C4H6O2.Na/c1-2-8-6-4-3-5-7-8;1-3(2)4(5)6;/h2-7H,1H2;1H2,2H3,(H,5,6);/q;;+1/p-1.
What are the key properties of sodium;2-methylprop-2-enoate;styrene?
sodium;2-methylprop-2-enoate;styrene has a molecular weight of 212.22 g/mol, XLogP of -1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-methylprop-2-enoate;styrene is sourced from PubChem (CID 67136540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).