carbonic acid;1,2-diethylbenzene

C12H18O6 — CID 89388803

IUPACcarbonic acid;1,2-diethylbenzene
SMILESCCc1ccccc1CC.O=C(O)O.O=C(O)O
InChIInChI=1S/C10H14.2CH2O3/c1-3-9-7-5-6-8-10(9)4-2;2*2-1(3)4/h5-8H,3-4H2,1-2H3;2*(H2,2,3,4)
InChIKeyBRJNMLZADVDDRW-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.26
Rot. Bonds2

About carbonic acid;1,2-diethylbenzene

carbonic acid;1,2-diethylbenzene (PubChem CID 89388803) has the molecular formula C12H18O6 and a molecular weight of 258.27 g/mol. Its IUPAC name is carbonic acid;1,2-diethylbenzene.

Molecular Properties

Compound Namecarbonic acid;1,2-diethylbenzene
PubChem CID89388803
Molecular FormulaC12H18O6
Molecular Weight258.27 g/mol
Exact Mass258.11
IUPAC Namecarbonic acid;1,2-diethylbenzene
SMILESCCc1ccccc1CC.O=C(O)O.O=C(O)O
InChIInChI=1S/C10H14.2CH2O3/c1-3-9-7-5-6-8-10(9)4-2;2*2-1(3)4/h5-8H,3-4H2,1-2H3;2*(H2,2,3,4)
InChIKeyBRJNMLZADVDDRW-UHFFFAOYSA-N
XLogP3.26
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;1,2-diethylbenzene?
The IUPAC name of carbonic acid;1,2-diethylbenzene (CID 89388803) is carbonic acid;1,2-diethylbenzene.
What is the SMILES notation for carbonic acid;1,2-diethylbenzene?
The canonical SMILES for carbonic acid;1,2-diethylbenzene is CCc1ccccc1CC.O=C(O)O.O=C(O)O.
What is the InChIKey of carbonic acid;1,2-diethylbenzene?
The InChIKey is BRJNMLZADVDDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.2CH2O3/c1-3-9-7-5-6-8-10(9)4-2;2*2-1(3)4/h5-8H,3-4H2,1-2H3;2*(H2,2,3,4).
What are the key properties of carbonic acid;1,2-diethylbenzene?
carbonic acid;1,2-diethylbenzene has a molecular weight of 258.27 g/mol, XLogP of 3.26, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1,2-diethylbenzene is sourced from PubChem (CID 89388803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).