2,2-bis(ethoxymethyl)-3,4-dihydropyran

C11H20O3 — CID 15583445

IUPAC2,2-bis(ethoxymethyl)-3,4-dihydropyran
SMILESCCOCC1(COCC)CCC=CO1
InChIInChI=1S/C11H20O3/c1-3-12-9-11(10-13-4-2)7-5-6-8-14-11/h6,8H,3-5,7,9-10H2,1-2H3
InChIKeyKOAGTHGDYGAXLK-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.12
Rot. Bonds6

About 2,2-bis(ethoxymethyl)-3,4-dihydropyran

2,2-bis(ethoxymethyl)-3,4-dihydropyran (PubChem CID 15583445) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2,2-bis(ethoxymethyl)-3,4-dihydropyran.

Molecular Properties

Compound Name2,2-bis(ethoxymethyl)-3,4-dihydropyran
PubChem CID15583445
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2,2-bis(ethoxymethyl)-3,4-dihydropyran
SMILESCCOCC1(COCC)CCC=CO1
InChIInChI=1S/C11H20O3/c1-3-12-9-11(10-13-4-2)7-5-6-8-14-11/h6,8H,3-5,7,9-10H2,1-2H3
InChIKeyKOAGTHGDYGAXLK-UHFFFAOYSA-N
XLogP2.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(ethoxymethyl)-3,4-dihydropyran?
The IUPAC name of 2,2-bis(ethoxymethyl)-3,4-dihydropyran (CID 15583445) is 2,2-bis(ethoxymethyl)-3,4-dihydropyran.
What is the SMILES notation for 2,2-bis(ethoxymethyl)-3,4-dihydropyran?
The canonical SMILES for 2,2-bis(ethoxymethyl)-3,4-dihydropyran is CCOCC1(COCC)CCC=CO1.
What is the InChIKey of 2,2-bis(ethoxymethyl)-3,4-dihydropyran?
The InChIKey is KOAGTHGDYGAXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-12-9-11(10-13-4-2)7-5-6-8-14-11/h6,8H,3-5,7,9-10H2,1-2H3.
What are the key properties of 2,2-bis(ethoxymethyl)-3,4-dihydropyran?
2,2-bis(ethoxymethyl)-3,4-dihydropyran has a molecular weight of 200.28 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(ethoxymethyl)-3,4-dihydropyran is sourced from PubChem (CID 15583445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).