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

C12H20O3 — CID 103560239

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanol
SMILESCOC1(CC(O)C2=COCCC2)CCC1
InChIInChI=1S/C12H20O3/c1-14-12(5-3-6-12)8-11(13)10-4-2-7-15-9-10/h9,11,13H,2-8H2,1H3
InChIKeyVFBDNZGWVAFQKV-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.00
Rot. Bonds4

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

1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanol (PubChem CID 103560239) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanol
PubChem CID103560239
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanol
SMILESCOC1(CC(O)C2=COCCC2)CCC1
InChIInChI=1S/C12H20O3/c1-14-12(5-3-6-12)8-11(13)10-4-2-7-15-9-10/h9,11,13H,2-8H2,1H3
InChIKeyVFBDNZGWVAFQKV-UHFFFAOYSA-N
XLogP2.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.00
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-(1-methoxycyclobutyl)ethanol?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanol (CID 103560239) is 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanol is COC1(CC(O)C2=COCCC2)CCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanol?
The InChIKey is VFBDNZGWVAFQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-14-12(5-3-6-12)8-11(13)10-4-2-7-15-9-10/h9,11,13H,2-8H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanol?
1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanol has a molecular weight of 212.29 g/mol, XLogP of 2.00, 4 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-(1-methoxycyclobutyl)ethanol is sourced from PubChem (CID 103560239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).