carbonic acid;cyclohexane;bis(2-methylpropane)

C16H36O6 — CID 70485345

IUPACcarbonic acid;cyclohexane;bis(2-methylpropane)
SMILESC1CCCCC1.CC(C)C.CC(C)C.O=C(O)O.O=C(O)O
InChIInChI=1S/C6H12.2C4H10.2CH2O3/c1-2-4-6-5-3-1;2*1-4(2)3;2*2-1(3)4/h1-6H2;2*4H,1-3H3;2*(H2,2,3,4)
InChIKeyKLFHYADFKZOQER-UHFFFAOYSA-N
MW324.46 g/mol
LogP6.11
Rot. Bonds

About carbonic acid;cyclohexane;bis(2-methylpropane)

carbonic acid;cyclohexane;bis(2-methylpropane) (PubChem CID 70485345) has the molecular formula C16H36O6 and a molecular weight of 324.46 g/mol. Its IUPAC name is carbonic acid;cyclohexane;bis(2-methylpropane).

Molecular Properties

Compound Namecarbonic acid;cyclohexane;bis(2-methylpropane)
PubChem CID70485345
Molecular FormulaC16H36O6
Molecular Weight324.46 g/mol
Exact Mass324.25
IUPAC Namecarbonic acid;cyclohexane;bis(2-methylpropane)
SMILESC1CCCCC1.CC(C)C.CC(C)C.O=C(O)O.O=C(O)O
InChIInChI=1S/C6H12.2C4H10.2CH2O3/c1-2-4-6-5-3-1;2*1-4(2)3;2*2-1(3)4/h1-6H2;2*4H,1-3H3;2*(H2,2,3,4)
InChIKeyKLFHYADFKZOQER-UHFFFAOYSA-N
XLogP6.11
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.46
LogP ≤ 56.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;cyclohexane;bis(2-methylpropane)?
The IUPAC name of carbonic acid;cyclohexane;bis(2-methylpropane) (CID 70485345) is carbonic acid;cyclohexane;bis(2-methylpropane).
What is the SMILES notation for carbonic acid;cyclohexane;bis(2-methylpropane)?
The canonical SMILES for carbonic acid;cyclohexane;bis(2-methylpropane) is C1CCCCC1.CC(C)C.CC(C)C.O=C(O)O.O=C(O)O.
What is the InChIKey of carbonic acid;cyclohexane;bis(2-methylpropane)?
The InChIKey is KLFHYADFKZOQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.2C4H10.2CH2O3/c1-2-4-6-5-3-1;2*1-4(2)3;2*2-1(3)4/h1-6H2;2*4H,1-3H3;2*(H2,2,3,4).
What are the key properties of carbonic acid;cyclohexane;bis(2-methylpropane)?
carbonic acid;cyclohexane;bis(2-methylpropane) has a molecular weight of 324.46 g/mol, XLogP of 6.11, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;cyclohexane;bis(2-methylpropane) is sourced from PubChem (CID 70485345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).