carbonic acid;cyclohexane

C11H22O15 — CID 67921181

IUPACcarbonic acid;cyclohexane
SMILESC1CCCCC1.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O
InChIInChI=1S/C6H12.5CH2O3/c1-2-4-6-5-3-1;5*2-1(3)4/h1-6H2;5*(H2,2,3,4)
InChIKeyZKERCGDEVAGWHT-UHFFFAOYSA-N
MW394.28 g/mol
LogP3.45
Rot. Bonds

About carbonic acid;cyclohexane

carbonic acid;cyclohexane (PubChem CID 67921181) has the molecular formula C11H22O15 and a molecular weight of 394.28 g/mol. Its IUPAC name is carbonic acid;cyclohexane.

Molecular Properties

Compound Namecarbonic acid;cyclohexane
PubChem CID67921181
Molecular FormulaC11H22O15
Molecular Weight394.28 g/mol
Exact Mass394.10
IUPAC Namecarbonic acid;cyclohexane
SMILESC1CCCCC1.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O
InChIInChI=1S/C6H12.5CH2O3/c1-2-4-6-5-3-1;5*2-1(3)4/h1-6H2;5*(H2,2,3,4)
InChIKeyZKERCGDEVAGWHT-UHFFFAOYSA-N
XLogP3.45
TPSA287.65 Ų
H-Bond Donors10
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.28
LogP ≤ 53.45
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;cyclohexane?
The IUPAC name of carbonic acid;cyclohexane (CID 67921181) is carbonic acid;cyclohexane.
What is the SMILES notation for carbonic acid;cyclohexane?
The canonical SMILES for carbonic acid;cyclohexane is C1CCCCC1.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.
What is the InChIKey of carbonic acid;cyclohexane?
The InChIKey is ZKERCGDEVAGWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.5CH2O3/c1-2-4-6-5-3-1;5*2-1(3)4/h1-6H2;5*(H2,2,3,4).
What are the key properties of carbonic acid;cyclohexane?
carbonic acid;cyclohexane has a molecular weight of 394.28 g/mol, XLogP of 3.45, 0 rotatable bonds, 10 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;cyclohexane is sourced from PubChem (CID 67921181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).