carbonic acid;propan-1-ol

C5H12O7 — CID 87687313

IUPACcarbonic acid;propan-1-ol
SMILESCCCO.O=C(O)O.O=C(O)O
InChIInChI=1S/C3H8O.2CH2O3/c1-2-3-4;2*2-1(3)4/h4H,2-3H2,1H3;2*(H2,2,3,4)
InChIKeyIVUDAJFWNUCFFC-UHFFFAOYSA-N
MW184.14 g/mol
LogP0.83
Rot. Bonds1

About carbonic acid;propan-1-ol

carbonic acid;propan-1-ol (PubChem CID 87687313) has the molecular formula C5H12O7 and a molecular weight of 184.14 g/mol. Its IUPAC name is carbonic acid;propan-1-ol.

Molecular Properties

Compound Namecarbonic acid;propan-1-ol
PubChem CID87687313
Molecular FormulaC5H12O7
Molecular Weight184.14 g/mol
Exact Mass184.06
IUPAC Namecarbonic acid;propan-1-ol
SMILESCCCO.O=C(O)O.O=C(O)O
InChIInChI=1S/C3H8O.2CH2O3/c1-2-3-4;2*2-1(3)4/h4H,2-3H2,1H3;2*(H2,2,3,4)
InChIKeyIVUDAJFWNUCFFC-UHFFFAOYSA-N
XLogP0.83
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.14
LogP ≤ 50.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;propan-1-ol?
The IUPAC name of carbonic acid;propan-1-ol (CID 87687313) is carbonic acid;propan-1-ol.
What is the SMILES notation for carbonic acid;propan-1-ol?
The canonical SMILES for carbonic acid;propan-1-ol is CCCO.O=C(O)O.O=C(O)O.
What is the InChIKey of carbonic acid;propan-1-ol?
The InChIKey is IVUDAJFWNUCFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.2CH2O3/c1-2-3-4;2*2-1(3)4/h4H,2-3H2,1H3;2*(H2,2,3,4).
What are the key properties of carbonic acid;propan-1-ol?
carbonic acid;propan-1-ol has a molecular weight of 184.14 g/mol, XLogP of 0.83, 1 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;propan-1-ol is sourced from PubChem (CID 87687313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).