2-(ethoxymethyl)-5-ethyl-2,3,4,5,6-pentamethyloxan-4-ol

C15H30O3 — CID 58669103

IUPAC2-(ethoxymethyl)-5-ethyl-2,3,4,5,6-pentamethyloxan-4-ol
SMILESCCOCC1(C)OC(C)C(C)(CC)C(C)(O)C1C
InChIInChI=1S/C15H30O3/c1-8-13(5)12(4)18-14(6,10-17-9-2)11(3)15(13,7)16/h11-12,16H,8-10H2,1-7H3
InChIKeyMLRJEJBIGZJKDE-UHFFFAOYSA-N
MW258.40 g/mol
LogP3.00
Rot. Bonds4

About 2-(ethoxymethyl)-5-ethyl-2,3,4,5,6-pentamethyloxan-4-ol

2-(ethoxymethyl)-5-ethyl-2,3,4,5,6-pentamethyloxan-4-ol (PubChem CID 58669103) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is 2-(ethoxymethyl)-5-ethyl-2,3,4,5,6-pentamethyloxan-4-ol.

Molecular Properties

Compound Name2-(ethoxymethyl)-5-ethyl-2,3,4,5,6-pentamethyloxan-4-ol
PubChem CID58669103
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name2-(ethoxymethyl)-5-ethyl-2,3,4,5,6-pentamethyloxan-4-ol
SMILESCCOCC1(C)OC(C)C(C)(CC)C(C)(O)C1C
InChIInChI=1S/C15H30O3/c1-8-13(5)12(4)18-14(6,10-17-9-2)11(3)15(13,7)16/h11-12,16H,8-10H2,1-7H3
InChIKeyMLRJEJBIGZJKDE-UHFFFAOYSA-N
XLogP3.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-5-ethyl-2,3,4,5,6-pentamethyloxan-4-ol?
The IUPAC name of 2-(ethoxymethyl)-5-ethyl-2,3,4,5,6-pentamethyloxan-4-ol (CID 58669103) is 2-(ethoxymethyl)-5-ethyl-2,3,4,5,6-pentamethyloxan-4-ol.
What is the SMILES notation for 2-(ethoxymethyl)-5-ethyl-2,3,4,5,6-pentamethyloxan-4-ol?
The canonical SMILES for 2-(ethoxymethyl)-5-ethyl-2,3,4,5,6-pentamethyloxan-4-ol is CCOCC1(C)OC(C)C(C)(CC)C(C)(O)C1C.
What is the InChIKey of 2-(ethoxymethyl)-5-ethyl-2,3,4,5,6-pentamethyloxan-4-ol?
The InChIKey is MLRJEJBIGZJKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-8-13(5)12(4)18-14(6,10-17-9-2)11(3)15(13,7)16/h11-12,16H,8-10H2,1-7H3.
What are the key properties of 2-(ethoxymethyl)-5-ethyl-2,3,4,5,6-pentamethyloxan-4-ol?
2-(ethoxymethyl)-5-ethyl-2,3,4,5,6-pentamethyloxan-4-ol has a molecular weight of 258.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-5-ethyl-2,3,4,5,6-pentamethyloxan-4-ol is sourced from PubChem (CID 58669103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).