ethane;2-methylprop-2-enoic acid;styrene

C14H20O2 — CID 174478215

IUPACethane;2-methylprop-2-enoic acid;styrene
SMILESC=C(C)C(=O)O.C=Cc1ccccc1.CC
InChIInChI=1S/C8H8.C4H6O2.C2H6/c1-2-8-6-4-3-5-7-8;1-3(2)4(5)6;1-2/h2-7H,1H2;1H2,2H3,(H,5,6);1-2H3
InChIKeyKIOPLEIECFCDRM-UHFFFAOYSA-N
MW220.31 g/mol
LogP4.00
Rot. Bonds2

About ethane;2-methylprop-2-enoic acid;styrene

ethane;2-methylprop-2-enoic acid;styrene (PubChem CID 174478215) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is ethane;2-methylprop-2-enoic acid;styrene.

Molecular Properties

Compound Nameethane;2-methylprop-2-enoic acid;styrene
PubChem CID174478215
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Nameethane;2-methylprop-2-enoic acid;styrene
SMILESC=C(C)C(=O)O.C=Cc1ccccc1.CC
InChIInChI=1S/C8H8.C4H6O2.C2H6/c1-2-8-6-4-3-5-7-8;1-3(2)4(5)6;1-2/h2-7H,1H2;1H2,2H3,(H,5,6);1-2H3
InChIKeyKIOPLEIECFCDRM-UHFFFAOYSA-N
XLogP4.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 54.00
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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Related Compounds

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2-methylprop-2-enoic acid;styrene;2,3,3-trifluoroprop-2-enoic acid
CID 158351628
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CID 174785895
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CID 87853841
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buta-1,3-diene;2-methylprop-1-ene;styrene
CID 159487182
chloroform;propan-2-one;styrene
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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylprop-2-enoic acid;styrene?
The IUPAC name of ethane;2-methylprop-2-enoic acid;styrene (CID 174478215) is ethane;2-methylprop-2-enoic acid;styrene.
What is the SMILES notation for ethane;2-methylprop-2-enoic acid;styrene?
The canonical SMILES for ethane;2-methylprop-2-enoic acid;styrene is C=C(C)C(=O)O.C=Cc1ccccc1.CC.
What is the InChIKey of ethane;2-methylprop-2-enoic acid;styrene?
The InChIKey is KIOPLEIECFCDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C4H6O2.C2H6/c1-2-8-6-4-3-5-7-8;1-3(2)4(5)6;1-2/h2-7H,1H2;1H2,2H3,(H,5,6);1-2H3.
What are the key properties of ethane;2-methylprop-2-enoic acid;styrene?
ethane;2-methylprop-2-enoic acid;styrene has a molecular weight of 220.31 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylprop-2-enoic acid;styrene is sourced from PubChem (CID 174478215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).