carbonic acid;cyclohexane;2-methylpropane

C12H26O6 — CID 67704241

IUPACcarbonic acid;cyclohexane;2-methylpropane
SMILESC1CCCCC1.CC(C)C.O=C(O)O.O=C(O)O
InChIInChI=1S/C6H12.C4H10.2CH2O3/c1-2-4-6-5-3-1;1-4(2)3;2*2-1(3)4/h1-6H2;4H,1-3H3;2*(H2,2,3,4)
InChIKeyJMJDNNCRUNJSRE-UHFFFAOYSA-N
MW266.33 g/mol
LogP4.45
Rot. Bonds

About carbonic acid;cyclohexane;2-methylpropane

carbonic acid;cyclohexane;2-methylpropane (PubChem CID 67704241) has the molecular formula C12H26O6 and a molecular weight of 266.33 g/mol. Its IUPAC name is carbonic acid;cyclohexane;2-methylpropane.

Molecular Properties

Compound Namecarbonic acid;cyclohexane;2-methylpropane
PubChem CID67704241
Molecular FormulaC12H26O6
Molecular Weight266.33 g/mol
Exact Mass266.17
IUPAC Namecarbonic acid;cyclohexane;2-methylpropane
SMILESC1CCCCC1.CC(C)C.O=C(O)O.O=C(O)O
InChIInChI=1S/C6H12.C4H10.2CH2O3/c1-2-4-6-5-3-1;1-4(2)3;2*2-1(3)4/h1-6H2;4H,1-3H3;2*(H2,2,3,4)
InChIKeyJMJDNNCRUNJSRE-UHFFFAOYSA-N
XLogP4.45
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 54.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;cyclohexane;2-methylpropane?
The IUPAC name of carbonic acid;cyclohexane;2-methylpropane (CID 67704241) is carbonic acid;cyclohexane;2-methylpropane.
What is the SMILES notation for carbonic acid;cyclohexane;2-methylpropane?
The canonical SMILES for carbonic acid;cyclohexane;2-methylpropane is C1CCCCC1.CC(C)C.O=C(O)O.O=C(O)O.
What is the InChIKey of carbonic acid;cyclohexane;2-methylpropane?
The InChIKey is JMJDNNCRUNJSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C4H10.2CH2O3/c1-2-4-6-5-3-1;1-4(2)3;2*2-1(3)4/h1-6H2;4H,1-3H3;2*(H2,2,3,4).
What are the key properties of carbonic acid;cyclohexane;2-methylpropane?
carbonic acid;cyclohexane;2-methylpropane has a molecular weight of 266.33 g/mol, XLogP of 4.45, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;cyclohexane;2-methylpropane is sourced from PubChem (CID 67704241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).