2-(2-hydroxypropoxy)propyl hydrogen carbonate

C7H14O5 — CID 87304467

IUPAC2-(2-hydroxypropoxy)propyl hydrogen carbonate
SMILESCC(O)COC(C)COC(=O)O
InChIInChI=1S/C7H14O5/c1-5(8)3-11-6(2)4-12-7(9)10/h5-6,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyLJIBXSBWVYLWDB-UHFFFAOYSA-N
MW178.18 g/mol
LogP0.47
Rot. Bonds5

About 2-(2-hydroxypropoxy)propyl hydrogen carbonate

2-(2-hydroxypropoxy)propyl hydrogen carbonate (PubChem CID 87304467) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is 2-(2-hydroxypropoxy)propyl hydrogen carbonate.

Molecular Properties

Compound Name2-(2-hydroxypropoxy)propyl hydrogen carbonate
PubChem CID87304467
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name2-(2-hydroxypropoxy)propyl hydrogen carbonate
SMILESCC(O)COC(C)COC(=O)O
InChIInChI=1S/C7H14O5/c1-5(8)3-11-6(2)4-12-7(9)10/h5-6,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyLJIBXSBWVYLWDB-UHFFFAOYSA-N
XLogP0.47
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-hydroxypropoxy)propoxy]propyl acetate
CID 87518170
2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propyl 2-methylbutanoate
CID 58444916
2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propyl prop-2-enoate
CID 21458421
2-[carboxymethyl-[2-[carboxymethyl-[2-[2-(2-hydroxypropoxy)propoxy]-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 87901439
butanedioic acid;2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 175203515
2-(2-hydroxypropoxy)propyl octanoate
CID 22496683
2-(2-hydroxypropoxy)propyl hexa-2,4-dienoate
CID 123307387
2-(2-hydroxypropoxy)propan-1-ol;propan-2-one
CID 21325277
2-(2-ethoxypropoxy)propyl acetate;2-(2-hydroxypropoxy)propan-1-ol
CID 158412024
2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 57250995
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 129258007
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 22051694

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropoxy)propyl hydrogen carbonate?
The IUPAC name of 2-(2-hydroxypropoxy)propyl hydrogen carbonate (CID 87304467) is 2-(2-hydroxypropoxy)propyl hydrogen carbonate.
What is the SMILES notation for 2-(2-hydroxypropoxy)propyl hydrogen carbonate?
The canonical SMILES for 2-(2-hydroxypropoxy)propyl hydrogen carbonate is CC(O)COC(C)COC(=O)O.
What is the InChIKey of 2-(2-hydroxypropoxy)propyl hydrogen carbonate?
The InChIKey is LJIBXSBWVYLWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O5/c1-5(8)3-11-6(2)4-12-7(9)10/h5-6,8H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 2-(2-hydroxypropoxy)propyl hydrogen carbonate?
2-(2-hydroxypropoxy)propyl hydrogen carbonate has a molecular weight of 178.18 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropoxy)propyl hydrogen carbonate is sourced from PubChem (CID 87304467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).