ethoxyperoxyethane;propane-1,2-diol

C7H18O5 — CID 87183178

IUPACethoxyperoxyethane;propane-1,2-diol
SMILESCC(O)CO.CCOOOCC
InChIInChI=1S/C4H10O3.C3H8O2/c1-3-5-7-6-4-2;1-3(5)2-4/h3-4H2,1-2H3;3-5H,2H2,1H3
InChIKeyCXSVWGBDVISPSQ-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.27
Rot. Bonds5

About ethoxyperoxyethane;propane-1,2-diol

ethoxyperoxyethane;propane-1,2-diol (PubChem CID 87183178) has the molecular formula C7H18O5 and a molecular weight of 182.22 g/mol. Its IUPAC name is ethoxyperoxyethane;propane-1,2-diol.

Molecular Properties

Compound Nameethoxyperoxyethane;propane-1,2-diol
PubChem CID87183178
Molecular FormulaC7H18O5
Molecular Weight182.22 g/mol
Exact Mass182.12
IUPAC Nameethoxyperoxyethane;propane-1,2-diol
SMILESCC(O)CO.CCOOOCC
InChIInChI=1S/C4H10O3.C3H8O2/c1-3-5-7-6-4-2;1-3(5)2-4/h3-4H2,1-2H3;3-5H,2H2,1H3
InChIKeyCXSVWGBDVISPSQ-UHFFFAOYSA-N
XLogP0.27
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

propane-1,2-diol
CID 23506506
ethene;ethoxyethane;propane-1,2-diol
CID 87065647
methoxymethane;propane-1,2-diol
CID 23435252
ethoxyperoxyethane;phosphane
CID 174988204
CID 160650971
CID 160650971
propane-1,2-diol;silver
CID 158521790
propane-1,2-diol;trihydrochloride;dihydrofluoride
CID 174772875
methanol;propane-1,2-diol;hydrochloride
CID 88632623
CID 158929584
CID 158929584
sodium;hydride;methoxymethane;propane-1,2-diol
CID 174416744
hydroxymethoxymethanol;propane-1,2-diol
CID 87307826
pentane;propane-1,2-diol
CID 88731847

Frequently Asked Questions

What is the IUPAC name of ethoxyperoxyethane;propane-1,2-diol?
The IUPAC name of ethoxyperoxyethane;propane-1,2-diol (CID 87183178) is ethoxyperoxyethane;propane-1,2-diol.
What is the SMILES notation for ethoxyperoxyethane;propane-1,2-diol?
The canonical SMILES for ethoxyperoxyethane;propane-1,2-diol is CC(O)CO.CCOOOCC.
What is the InChIKey of ethoxyperoxyethane;propane-1,2-diol?
The InChIKey is CXSVWGBDVISPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3.C3H8O2/c1-3-5-7-6-4-2;1-3(5)2-4/h3-4H2,1-2H3;3-5H,2H2,1H3.
What are the key properties of ethoxyperoxyethane;propane-1,2-diol?
ethoxyperoxyethane;propane-1,2-diol has a molecular weight of 182.22 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyperoxyethane;propane-1,2-diol is sourced from PubChem (CID 87183178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).