carbonic acid;cyclohexane;octahydrate

C7H30O11 — CID 175418638

IUPACcarbonic acid;cyclohexane;octahydrate
SMILESC1CCCCC1.O.O.O.O.O.O.O.O.O=C(O)O
InChIInChI=1S/C6H12.CH2O3.8H2O/c1-2-4-6-5-3-1;2-1(3)4;;;;;;;;/h1-6H2;(H2,2,3,4);8*1H2
InChIKeyLXKSFKYHDWYJQB-UHFFFAOYSA-N
MW290.31 g/mol
LogP-4.03
Rot. Bonds

About carbonic acid;cyclohexane;octahydrate

carbonic acid;cyclohexane;octahydrate (PubChem CID 175418638) has the molecular formula C7H30O11 and a molecular weight of 290.31 g/mol. Its IUPAC name is carbonic acid;cyclohexane;octahydrate.

Molecular Properties

Compound Namecarbonic acid;cyclohexane;octahydrate
PubChem CID175418638
Molecular FormulaC7H30O11
Molecular Weight290.31 g/mol
Exact Mass290.18
IUPAC Namecarbonic acid;cyclohexane;octahydrate
SMILESC1CCCCC1.O.O.O.O.O.O.O.O.O=C(O)O
InChIInChI=1S/C6H12.CH2O3.8H2O/c1-2-4-6-5-3-1;2-1(3)4;;;;;;;;/h1-6H2;(H2,2,3,4);8*1H2
InChIKeyLXKSFKYHDWYJQB-UHFFFAOYSA-N
XLogP-4.03
TPSA309.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 5-4.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;cyclohexane;octahydrate?
The IUPAC name of carbonic acid;cyclohexane;octahydrate (CID 175418638) is carbonic acid;cyclohexane;octahydrate.
What is the SMILES notation for carbonic acid;cyclohexane;octahydrate?
The canonical SMILES for carbonic acid;cyclohexane;octahydrate is C1CCCCC1.O.O.O.O.O.O.O.O.O=C(O)O.
What is the InChIKey of carbonic acid;cyclohexane;octahydrate?
The InChIKey is LXKSFKYHDWYJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.CH2O3.8H2O/c1-2-4-6-5-3-1;2-1(3)4;;;;;;;;/h1-6H2;(H2,2,3,4);8*1H2.
What are the key properties of carbonic acid;cyclohexane;octahydrate?
carbonic acid;cyclohexane;octahydrate has a molecular weight of 290.31 g/mol, XLogP of -4.03, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;cyclohexane;octahydrate is sourced from PubChem (CID 175418638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).