ethane;2-ethyl-5-methyloxolane-2,3-diol

C9H20O3 — CID 177060039

IUPACethane;2-ethyl-5-methyloxolane-2,3-diol
SMILESCC.CCC1(O)OC(C)CC1O
InChIInChI=1S/C7H14O3.C2H6/c1-3-7(9)6(8)4-5(2)10-7;1-2/h5-6,8-9H,3-4H2,1-2H3;1-2H3
InChIKeyJYMZLLQFIQOFSN-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.28
Rot. Bonds1

About ethane;2-ethyl-5-methyloxolane-2,3-diol

ethane;2-ethyl-5-methyloxolane-2,3-diol (PubChem CID 177060039) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is ethane;2-ethyl-5-methyloxolane-2,3-diol.

Molecular Properties

Compound Nameethane;2-ethyl-5-methyloxolane-2,3-diol
PubChem CID177060039
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Nameethane;2-ethyl-5-methyloxolane-2,3-diol
SMILESCC.CCC1(O)OC(C)CC1O
InChIInChI=1S/C7H14O3.C2H6/c1-3-7(9)6(8)4-5(2)10-7;1-2/h5-6,8-9H,3-4H2,1-2H3;1-2H3
InChIKeyJYMZLLQFIQOFSN-UHFFFAOYSA-N
XLogP1.28
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-5-methyloxolane-2,3-diol?
The IUPAC name of ethane;2-ethyl-5-methyloxolane-2,3-diol (CID 177060039) is ethane;2-ethyl-5-methyloxolane-2,3-diol.
What is the SMILES notation for ethane;2-ethyl-5-methyloxolane-2,3-diol?
The canonical SMILES for ethane;2-ethyl-5-methyloxolane-2,3-diol is CC.CCC1(O)OC(C)CC1O.
What is the InChIKey of ethane;2-ethyl-5-methyloxolane-2,3-diol?
The InChIKey is JYMZLLQFIQOFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3.C2H6/c1-3-7(9)6(8)4-5(2)10-7;1-2/h5-6,8-9H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;2-ethyl-5-methyloxolane-2,3-diol?
ethane;2-ethyl-5-methyloxolane-2,3-diol has a molecular weight of 176.26 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-5-methyloxolane-2,3-diol is sourced from PubChem (CID 177060039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).