carbonic acid;4-ethenyl-1,2-diethylbenzene

C13H18O3 — CID 160975944

IUPACcarbonic acid;4-ethenyl-1,2-diethylbenzene
SMILESC=Cc1ccc(CC)c(CC)c1.O=C(O)O
InChIInChI=1S/C12H16.CH2O3/c1-4-10-7-8-11(5-2)12(6-3)9-10;2-1(3)4/h4,7-9H,1,5-6H2,2-3H3;(H2,2,3,4)
InChIKeySYWCYJGWHZDLIM-UHFFFAOYSA-N
MW222.28 g/mol
LogP3.68
Rot. Bonds3

About carbonic acid;4-ethenyl-1,2-diethylbenzene

carbonic acid;4-ethenyl-1,2-diethylbenzene (PubChem CID 160975944) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is carbonic acid;4-ethenyl-1,2-diethylbenzene.

Molecular Properties

Compound Namecarbonic acid;4-ethenyl-1,2-diethylbenzene
PubChem CID160975944
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Namecarbonic acid;4-ethenyl-1,2-diethylbenzene
SMILESC=Cc1ccc(CC)c(CC)c1.O=C(O)O
InChIInChI=1S/C12H16.CH2O3/c1-4-10-7-8-11(5-2)12(6-3)9-10;2-1(3)4/h4,7-9H,1,5-6H2,2-3H3;(H2,2,3,4)
InChIKeySYWCYJGWHZDLIM-UHFFFAOYSA-N
XLogP3.68
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;4-ethenyl-1,2-diethylbenzene?
The IUPAC name of carbonic acid;4-ethenyl-1,2-diethylbenzene (CID 160975944) is carbonic acid;4-ethenyl-1,2-diethylbenzene.
What is the SMILES notation for carbonic acid;4-ethenyl-1,2-diethylbenzene?
The canonical SMILES for carbonic acid;4-ethenyl-1,2-diethylbenzene is C=Cc1ccc(CC)c(CC)c1.O=C(O)O.
What is the InChIKey of carbonic acid;4-ethenyl-1,2-diethylbenzene?
The InChIKey is SYWCYJGWHZDLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.CH2O3/c1-4-10-7-8-11(5-2)12(6-3)9-10;2-1(3)4/h4,7-9H,1,5-6H2,2-3H3;(H2,2,3,4).
What are the key properties of carbonic acid;4-ethenyl-1,2-diethylbenzene?
carbonic acid;4-ethenyl-1,2-diethylbenzene has a molecular weight of 222.28 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;4-ethenyl-1,2-diethylbenzene is sourced from PubChem (CID 160975944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).