1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanol

C13H22O3 — CID 103170226

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanol
SMILESCCOC1CC(CC(O)C2=COCCC2)C1
InChIInChI=1S/C13H22O3/c1-2-16-12-6-10(7-12)8-13(14)11-4-3-5-15-9-11/h9-10,12-14H,2-8H2,1H3
InChIKeyNQHFFQAYBJADOC-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.25
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanol

1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanol (PubChem CID 103170226) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanol
PubChem CID103170226
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanol
SMILESCCOC1CC(CC(O)C2=COCCC2)C1
InChIInChI=1S/C13H22O3/c1-2-16-12-6-10(7-12)8-13(14)11-4-3-5-15-9-11/h9-10,12-14H,2-8H2,1H3
InChIKeyNQHFFQAYBJADOC-UHFFFAOYSA-N
XLogP2.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanol?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanol (CID 103170226) is 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanol is CCOC1CC(CC(O)C2=COCCC2)C1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanol?
The InChIKey is NQHFFQAYBJADOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-2-16-12-6-10(7-12)8-13(14)11-4-3-5-15-9-11/h9-10,12-14H,2-8H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanol?
1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanol has a molecular weight of 226.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanol is sourced from PubChem (CID 103170226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).