carbonic acid;propane

C5H12O6 — CID 87396872

IUPACcarbonic acid;propane
SMILESCCC.O=C(O)O.O=C(O)O
InChIInChI=1S/C3H8.2CH2O3/c1-3-2;2*2-1(3)4/h3H2,1-2H3;2*(H2,2,3,4)
InChIKeyYFDIJAFRXCZJDJ-UHFFFAOYSA-N
MW168.14 g/mol
LogP1.86
Rot. Bonds

About carbonic acid;propane

carbonic acid;propane (PubChem CID 87396872) has the molecular formula C5H12O6 and a molecular weight of 168.14 g/mol. Its IUPAC name is carbonic acid;propane.

Molecular Properties

Compound Namecarbonic acid;propane
PubChem CID87396872
Molecular FormulaC5H12O6
Molecular Weight168.14 g/mol
Exact Mass168.06
IUPAC Namecarbonic acid;propane
SMILESCCC.O=C(O)O.O=C(O)O
InChIInChI=1S/C3H8.2CH2O3/c1-3-2;2*2-1(3)4/h3H2,1-2H3;2*(H2,2,3,4)
InChIKeyYFDIJAFRXCZJDJ-UHFFFAOYSA-N
XLogP1.86
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.14
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;propane?
The IUPAC name of carbonic acid;propane (CID 87396872) is carbonic acid;propane.
What is the SMILES notation for carbonic acid;propane?
The canonical SMILES for carbonic acid;propane is CCC.O=C(O)O.O=C(O)O.
What is the InChIKey of carbonic acid;propane?
The InChIKey is YFDIJAFRXCZJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.2CH2O3/c1-3-2;2*2-1(3)4/h3H2,1-2H3;2*(H2,2,3,4).
What are the key properties of carbonic acid;propane?
carbonic acid;propane has a molecular weight of 168.14 g/mol, XLogP of 1.86, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;propane is sourced from PubChem (CID 87396872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).