sodium;prop-2-enoic acid;prop-1-en-2-ylbenzene;styrene

C20H22NaO2+ — CID 56843857

IUPACsodium;prop-2-enoic acid;prop-1-en-2-ylbenzene;styrene
SMILESC=C(C)c1ccccc1.C=CC(=O)O.C=Cc1ccccc1.[Na+]
InChIInChI=1S/C9H10.C8H8.C3H4O2.Na/c1-8(2)9-6-4-3-5-7-9;1-2-8-6-4-3-5-7-8;1-2-3(4)5;/h3-7H,1H2,2H3;2-7H,1H2;2H,1H2,(H,4,5);/q;;;+1
InChIKeyDGVOXKAWJLSPHK-UHFFFAOYSA-N
MW317.38 g/mol
LogP2.31
Rot. Bonds3

About sodium;prop-2-enoic acid;prop-1-en-2-ylbenzene;styrene

sodium;prop-2-enoic acid;prop-1-en-2-ylbenzene;styrene (PubChem CID 56843857) has the molecular formula C20H22NaO2+ and a molecular weight of 317.38 g/mol. Its IUPAC name is sodium;prop-2-enoic acid;prop-1-en-2-ylbenzene;styrene.

Molecular Properties

Compound Namesodium;prop-2-enoic acid;prop-1-en-2-ylbenzene;styrene
PubChem CID56843857
Molecular FormulaC20H22NaO2+
Molecular Weight317.38 g/mol
Exact Mass317.15
IUPAC Namesodium;prop-2-enoic acid;prop-1-en-2-ylbenzene;styrene
SMILESC=C(C)c1ccccc1.C=CC(=O)O.C=Cc1ccccc1.[Na+]
InChIInChI=1S/C9H10.C8H8.C3H4O2.Na/c1-8(2)9-6-4-3-5-7-9;1-2-8-6-4-3-5-7-8;1-2-3(4)5;/h3-7H,1H2,2H3;2-7H,1H2;2H,1H2,(H,4,5);/q;;;+1
InChIKeyDGVOXKAWJLSPHK-UHFFFAOYSA-N
XLogP2.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;prop-2-enoic acid;prop-1-en-2-ylbenzene;styrene?
The IUPAC name of sodium;prop-2-enoic acid;prop-1-en-2-ylbenzene;styrene (CID 56843857) is sodium;prop-2-enoic acid;prop-1-en-2-ylbenzene;styrene.
What is the SMILES notation for sodium;prop-2-enoic acid;prop-1-en-2-ylbenzene;styrene?
The canonical SMILES for sodium;prop-2-enoic acid;prop-1-en-2-ylbenzene;styrene is C=C(C)c1ccccc1.C=CC(=O)O.C=Cc1ccccc1.[Na+].
What is the InChIKey of sodium;prop-2-enoic acid;prop-1-en-2-ylbenzene;styrene?
The InChIKey is DGVOXKAWJLSPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C8H8.C3H4O2.Na/c1-8(2)9-6-4-3-5-7-9;1-2-8-6-4-3-5-7-8;1-2-3(4)5;/h3-7H,1H2,2H3;2-7H,1H2;2H,1H2,(H,4,5);/q;;;+1.
What are the key properties of sodium;prop-2-enoic acid;prop-1-en-2-ylbenzene;styrene?
sodium;prop-2-enoic acid;prop-1-en-2-ylbenzene;styrene has a molecular weight of 317.38 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;prop-2-enoic acid;prop-1-en-2-ylbenzene;styrene is sourced from PubChem (CID 56843857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).