cumene;furan-2,5-dione;propan-1-ol;styrene

C24H30O4 — CID 156593870

IUPACcumene;furan-2,5-dione;propan-1-ol;styrene
SMILESC=Cc1ccccc1.CC(C)c1ccccc1.CCCO.O=C1C=CC(=O)O1
InChIInChI=1S/C9H12.C8H8.C4H2O3.C3H8O/c1-8(2)9-6-4-3-5-7-9;1-2-8-6-4-3-5-7-8;5-3-1-2-4(6)7-3;1-2-3-4/h3-8H,1-2H3;2-7H,1H2;1-2H;4H,2-3H2,1H3
InChIKeyJWTSMFIHSFDBTD-UHFFFAOYSA-N
MW382.50 g/mol
LogP5.15
Rot. Bonds3

About cumene;furan-2,5-dione;propan-1-ol;styrene

cumene;furan-2,5-dione;propan-1-ol;styrene (PubChem CID 156593870) has the molecular formula C24H30O4 and a molecular weight of 382.50 g/mol. Its IUPAC name is cumene;furan-2,5-dione;propan-1-ol;styrene.

Molecular Properties

Compound Namecumene;furan-2,5-dione;propan-1-ol;styrene
PubChem CID156593870
Molecular FormulaC24H30O4
Molecular Weight382.50 g/mol
Exact Mass382.21
IUPAC Namecumene;furan-2,5-dione;propan-1-ol;styrene
SMILESC=Cc1ccccc1.CC(C)c1ccccc1.CCCO.O=C1C=CC(=O)O1
InChIInChI=1S/C9H12.C8H8.C4H2O3.C3H8O/c1-8(2)9-6-4-3-5-7-9;1-2-8-6-4-3-5-7-8;5-3-1-2-4(6)7-3;1-2-3-4/h3-8H,1-2H3;2-7H,1H2;1-2H;4H,2-3H2,1H3
InChIKeyJWTSMFIHSFDBTD-UHFFFAOYSA-N
XLogP5.15
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethene;furan-2,5-dione;styrene
CID 160683810
1,4-bis(ethenyl)benzene;furan-2,5-dione
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furan-2,5-dione;styrene;triamino 4,8,12-tricarbamoyl-5,9,13-triphenyltetradecane-2,6,10-tricarboxylate
CID 161437158
ethyl 2-methylbutanoate;styrene
CID 91021086
cumene;hydrogen peroxide
CID 21225480
2-hydroxyacetaldehyde;styrene
CID 158920160
2-methylpropanal;styrene
CID 142676014
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);prop-2-enoic acid;styrene
CID 174785895
prop-2-enoic acid;styrene
CID 160851252
ethyl(trimethyl)azanium;2-methylpropane;styrene
CID 90953854
but-2-enedioic acid;ethane-1,2-diol;styrene
CID 157276113
butane;2-methylbuta-1,3-diene;styrene
CID 161435264

Frequently Asked Questions

What is the IUPAC name of cumene;furan-2,5-dione;propan-1-ol;styrene?
The IUPAC name of cumene;furan-2,5-dione;propan-1-ol;styrene (CID 156593870) is cumene;furan-2,5-dione;propan-1-ol;styrene.
What is the SMILES notation for cumene;furan-2,5-dione;propan-1-ol;styrene?
The canonical SMILES for cumene;furan-2,5-dione;propan-1-ol;styrene is C=Cc1ccccc1.CC(C)c1ccccc1.CCCO.O=C1C=CC(=O)O1.
What is the InChIKey of cumene;furan-2,5-dione;propan-1-ol;styrene?
The InChIKey is JWTSMFIHSFDBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C8H8.C4H2O3.C3H8O/c1-8(2)9-6-4-3-5-7-9;1-2-8-6-4-3-5-7-8;5-3-1-2-4(6)7-3;1-2-3-4/h3-8H,1-2H3;2-7H,1H2;1-2H;4H,2-3H2,1H3.
What are the key properties of cumene;furan-2,5-dione;propan-1-ol;styrene?
cumene;furan-2,5-dione;propan-1-ol;styrene has a molecular weight of 382.50 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;furan-2,5-dione;propan-1-ol;styrene is sourced from PubChem (CID 156593870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).