carbonic acid;cyclohexane

C10H20O12 — CID 68630228

IUPACcarbonic acid;cyclohexane
SMILESC1CCCCC1.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O
InChIInChI=1S/C6H12.4CH2O3/c1-2-4-6-5-3-1;4*2-1(3)4/h1-6H2;4*(H2,2,3,4)
InChIKeyAQRMPSPRBUUKTL-UHFFFAOYSA-N
MW332.26 g/mol
LogP3.23
Rot. Bonds

About carbonic acid;cyclohexane

carbonic acid;cyclohexane (PubChem CID 68630228) has the molecular formula C10H20O12 and a molecular weight of 332.26 g/mol. Its IUPAC name is carbonic acid;cyclohexane.

Molecular Properties

Compound Namecarbonic acid;cyclohexane
PubChem CID68630228
Molecular FormulaC10H20O12
Molecular Weight332.26 g/mol
Exact Mass332.10
IUPAC Namecarbonic acid;cyclohexane
SMILESC1CCCCC1.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O
InChIInChI=1S/C6H12.4CH2O3/c1-2-4-6-5-3-1;4*2-1(3)4/h1-6H2;4*(H2,2,3,4)
InChIKeyAQRMPSPRBUUKTL-UHFFFAOYSA-N
XLogP3.23
TPSA230.12 Ų
H-Bond Donors8
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.26
LogP ≤ 53.23
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;cyclohexane?
The IUPAC name of carbonic acid;cyclohexane (CID 68630228) 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.
What is the InChIKey of carbonic acid;cyclohexane?
The InChIKey is AQRMPSPRBUUKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.4CH2O3/c1-2-4-6-5-3-1;4*2-1(3)4/h1-6H2;4*(H2,2,3,4).
What are the key properties of carbonic acid;cyclohexane?
carbonic acid;cyclohexane has a molecular weight of 332.26 g/mol, XLogP of 3.23, 0 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;cyclohexane is sourced from PubChem (CID 68630228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).