carbonic acid;2,2-dimethylpropane-1,3-diol

C6H14O5 — CID 86748944

IUPACcarbonic acid;2,2-dimethylpropane-1,3-diol
SMILESCC(C)(CO)CO.O=C(O)O
InChIInChI=1S/C5H12O2.CH2O3/c1-5(2,3-6)4-7;2-1(3)4/h6-7H,3-4H2,1-2H3;(H2,2,3,4)
InChIKeySFBMLLIIYDGPIG-UHFFFAOYSA-N
MW166.17 g/mol
LogP0.22
Rot. Bonds2

About carbonic acid;2,2-dimethylpropane-1,3-diol

carbonic acid;2,2-dimethylpropane-1,3-diol (PubChem CID 86748944) has the molecular formula C6H14O5 and a molecular weight of 166.17 g/mol. Its IUPAC name is carbonic acid;2,2-dimethylpropane-1,3-diol.

Molecular Properties

Compound Namecarbonic acid;2,2-dimethylpropane-1,3-diol
PubChem CID86748944
Molecular FormulaC6H14O5
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Namecarbonic acid;2,2-dimethylpropane-1,3-diol
SMILESCC(C)(CO)CO.O=C(O)O
InChIInChI=1S/C5H12O2.CH2O3/c1-5(2,3-6)4-7;2-1(3)4/h6-7H,3-4H2,1-2H3;(H2,2,3,4)
InChIKeySFBMLLIIYDGPIG-UHFFFAOYSA-N
XLogP0.22
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;2,2-dimethylpropane-1,3-diol?
The IUPAC name of carbonic acid;2,2-dimethylpropane-1,3-diol (CID 86748944) is carbonic acid;2,2-dimethylpropane-1,3-diol.
What is the SMILES notation for carbonic acid;2,2-dimethylpropane-1,3-diol?
The canonical SMILES for carbonic acid;2,2-dimethylpropane-1,3-diol is CC(C)(CO)CO.O=C(O)O.
What is the InChIKey of carbonic acid;2,2-dimethylpropane-1,3-diol?
The InChIKey is SFBMLLIIYDGPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2.CH2O3/c1-5(2,3-6)4-7;2-1(3)4/h6-7H,3-4H2,1-2H3;(H2,2,3,4).
What are the key properties of carbonic acid;2,2-dimethylpropane-1,3-diol?
carbonic acid;2,2-dimethylpropane-1,3-diol has a molecular weight of 166.17 g/mol, XLogP of 0.22, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2,2-dimethylpropane-1,3-diol is sourced from PubChem (CID 86748944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).