carbonic acid;cyclohexane

C9H18O9 — CID 66586496

IUPACcarbonic acid;cyclohexane
SMILESC1CCCCC1.O=C(O)O.O=C(O)O.O=C(O)O
InChIInChI=1S/C6H12.3CH2O3/c1-2-4-6-5-3-1;3*2-1(3)4/h1-6H2;3*(H2,2,3,4)
InChIKeyMSWWWTUEYDEFAU-UHFFFAOYSA-N
MW270.23 g/mol
LogP3.01
Rot. Bonds

About carbonic acid;cyclohexane

carbonic acid;cyclohexane (PubChem CID 66586496) has the molecular formula C9H18O9 and a molecular weight of 270.23 g/mol. Its IUPAC name is carbonic acid;cyclohexane.

Molecular Properties

Compound Namecarbonic acid;cyclohexane
PubChem CID66586496
Molecular FormulaC9H18O9
Molecular Weight270.23 g/mol
Exact Mass270.10
IUPAC Namecarbonic acid;cyclohexane
SMILESC1CCCCC1.O=C(O)O.O=C(O)O.O=C(O)O
InChIInChI=1S/C6H12.3CH2O3/c1-2-4-6-5-3-1;3*2-1(3)4/h1-6H2;3*(H2,2,3,4)
InChIKeyMSWWWTUEYDEFAU-UHFFFAOYSA-N
XLogP3.01
TPSA172.59 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.23
LogP ≤ 53.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;cyclohexane?
The IUPAC name of carbonic acid;cyclohexane (CID 66586496) 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.
What is the InChIKey of carbonic acid;cyclohexane?
The InChIKey is MSWWWTUEYDEFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.3CH2O3/c1-2-4-6-5-3-1;3*2-1(3)4/h1-6H2;3*(H2,2,3,4).
What are the key properties of carbonic acid;cyclohexane?
carbonic acid;cyclohexane has a molecular weight of 270.23 g/mol, XLogP of 3.01, 0 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;cyclohexane is sourced from PubChem (CID 66586496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).