bis(1-hydroxypropan-2-yl) carbonate

C7H14O5 — CID 87589930

IUPACbis(1-hydroxypropan-2-yl) carbonate
SMILESCC(CO)OC(=O)OC(C)CO
InChIInChI=1S/C7H14O5/c1-5(3-8)11-7(10)12-6(2)4-9/h5-6,8-9H,3-4H2,1-2H3
InChIKeyPWGXYUOFMFJKBK-UHFFFAOYSA-N
MW178.18 g/mol
LogP-0.10
Rot. Bonds4

About bis(1-hydroxypropan-2-yl) carbonate

bis(1-hydroxypropan-2-yl) carbonate (PubChem CID 87589930) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is bis(1-hydroxypropan-2-yl) carbonate.

Molecular Properties

Compound Namebis(1-hydroxypropan-2-yl) carbonate
PubChem CID87589930
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Namebis(1-hydroxypropan-2-yl) carbonate
SMILESCC(CO)OC(=O)OC(C)CO
InChIInChI=1S/C7H14O5/c1-5(3-8)11-7(10)12-6(2)4-9/h5-6,8-9H,3-4H2,1-2H3
InChIKeyPWGXYUOFMFJKBK-UHFFFAOYSA-N
XLogP-0.10
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-hydroxypropan-2-yl 1-phosphanyloxycarbonyloxypropan-2-yl carbonate
CID 153444400
[(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate
CID 173085312
[(2R)-1-hydroxypropan-2-yl] (2S)-2-hydroxypropanoate
CID 167060953
1-hydroxypropan-2-yl 2-bromo-2-hydroxyacetate
CID 3023842
bis(1-hydroperoxypropan-2-yl) carbonate
CID 174639053
acetic acid;1-hydroxypropan-2-yl methyl carbonate;2-methyloxirane
CID 159117915
1-hydroxypropan-2-yl 3-methylbut-2-enoate
CID 131212107
tert-butyl 1-(1-hydroxypropan-2-yloxycarbonyloxy)propan-2-yl carbonate;tert-butyl 2-(1-hydroxypropan-2-yloxycarbonyloxy)propyl carbonate;tert-butyl 1-(2-hydroxypropoxycarbonyloxy)propan-2-yl carbonate;tert-butyl 2-(2-hydroxypropoxycarbonyloxy)propyl carbonate
CID 158897155
1-hydroxypropan-2-yl hydrogen carbonate;methane;propane-1,2,3-triol;hydrate
CID 160712478
2-Hydroxy-1-methylethyldioxy
CID 132575456
1-hydroxypropan-2-yl 6-hydroxyhexanoate
CID 58519851
butan-2-yl butan-2-yloxycarbonyl carbonate
CID 11183557

Frequently Asked Questions

What is the IUPAC name of bis(1-hydroxypropan-2-yl) carbonate?
The IUPAC name of bis(1-hydroxypropan-2-yl) carbonate (CID 87589930) is bis(1-hydroxypropan-2-yl) carbonate.
What is the SMILES notation for bis(1-hydroxypropan-2-yl) carbonate?
The canonical SMILES for bis(1-hydroxypropan-2-yl) carbonate is CC(CO)OC(=O)OC(C)CO.
What is the InChIKey of bis(1-hydroxypropan-2-yl) carbonate?
The InChIKey is PWGXYUOFMFJKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O5/c1-5(3-8)11-7(10)12-6(2)4-9/h5-6,8-9H,3-4H2,1-2H3.
What are the key properties of bis(1-hydroxypropan-2-yl) carbonate?
bis(1-hydroxypropan-2-yl) carbonate has a molecular weight of 178.18 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-hydroxypropan-2-yl) carbonate is sourced from PubChem (CID 87589930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).