ethylcyclobutane;propane-1,2,3-triol

C9H20O3 — CID 23171105

IUPACethylcyclobutane;propane-1,2,3-triol
SMILESCCC1CCC1.OCC(O)CO
InChIInChI=1S/C6H12.C3H8O3/c1-2-6-4-3-5-6;4-1-3(6)2-5/h6H,2-5H2,1H3;3-6H,1-2H2
InChIKeyVWXVMWFNKGPRAJ-UHFFFAOYSA-N
MW176.26 g/mol
LogP0.53
Rot. Bonds3

About ethylcyclobutane;propane-1,2,3-triol

ethylcyclobutane;propane-1,2,3-triol (PubChem CID 23171105) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is ethylcyclobutane;propane-1,2,3-triol.

Molecular Properties

Compound Nameethylcyclobutane;propane-1,2,3-triol
PubChem CID23171105
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Nameethylcyclobutane;propane-1,2,3-triol
SMILESCCC1CCC1.OCC(O)CO
InChIInChI=1S/C6H12.C3H8O3/c1-2-6-4-3-5-6;4-1-3(6)2-5/h6H,2-5H2,1H3;3-6H,1-2H2
InChIKeyVWXVMWFNKGPRAJ-UHFFFAOYSA-N
XLogP0.53
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 159227929
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CID 91996240
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Frequently Asked Questions

What is the IUPAC name of ethylcyclobutane;propane-1,2,3-triol?
The IUPAC name of ethylcyclobutane;propane-1,2,3-triol (CID 23171105) is ethylcyclobutane;propane-1,2,3-triol.
What is the SMILES notation for ethylcyclobutane;propane-1,2,3-triol?
The canonical SMILES for ethylcyclobutane;propane-1,2,3-triol is CCC1CCC1.OCC(O)CO.
What is the InChIKey of ethylcyclobutane;propane-1,2,3-triol?
The InChIKey is VWXVMWFNKGPRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C3H8O3/c1-2-6-4-3-5-6;4-1-3(6)2-5/h6H,2-5H2,1H3;3-6H,1-2H2.
What are the key properties of ethylcyclobutane;propane-1,2,3-triol?
ethylcyclobutane;propane-1,2,3-triol has a molecular weight of 176.26 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylcyclobutane;propane-1,2,3-triol is sourced from PubChem (CID 23171105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).