1-(4-methoxyoxan-4-yl)ethanol

C8H16O3 — CID 116753835

IUPAC1-(4-methoxyoxan-4-yl)ethanol
SMILESCOC1(C(C)O)CCOCC1
InChIInChI=1S/C8H16O3/c1-7(9)8(10-2)3-5-11-6-4-8/h7,9H,3-6H2,1-2H3
InChIKeyLCKATMCNRYRKKP-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.56
Rot. Bonds2

About 1-(4-methoxyoxan-4-yl)ethanol

1-(4-methoxyoxan-4-yl)ethanol (PubChem CID 116753835) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 1-(4-methoxyoxan-4-yl)ethanol.

Molecular Properties

Compound Name1-(4-methoxyoxan-4-yl)ethanol
PubChem CID116753835
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name1-(4-methoxyoxan-4-yl)ethanol
SMILESCOC1(C(C)O)CCOCC1
InChIInChI=1S/C8H16O3/c1-7(9)8(10-2)3-5-11-6-4-8/h7,9H,3-6H2,1-2H3
InChIKeyLCKATMCNRYRKKP-UHFFFAOYSA-N
XLogP0.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyoxan-4-yl)-2-methylpropan-1-ol
CID 116753892
(4-methoxyoxan-4-yl)-(oxan-4-yl)methanol
CID 116753889
2-ethoxy-1-(4-methoxyoxan-4-yl)ethanol
CID 116754069
(3,5-dimethylcyclohexyl)-(4-methoxyoxan-4-yl)methanol
CID 116754065
1-(4-methoxyoxan-4-yl)undecan-1-ol
CID 116753924
1-(4-methoxyoxan-4-yl)-2-methyl-N-propylpropan-1-amine
CID 116765183
(3-bromofuran-2-yl)-(4-methoxyoxan-4-yl)methanol
CID 116754061
(4-methoxyoxan-4-yl)-(3-methylthiophen-2-yl)methanol
CID 116753823
1-(4-methoxyoxan-4-yl)prop-2-enylhydrazine
CID 105276482
cyclopentyl-(4-methoxyoxan-4-yl)methanamine
CID 116764544
(1-methoxycyclobutyl)-(oxan-4-yl)methanol
CID 116710425
(4-methoxyoxan-4-yl)-(4-methyl-3-pyridinyl)methanol
CID 116754068

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyoxan-4-yl)ethanol?
The IUPAC name of 1-(4-methoxyoxan-4-yl)ethanol (CID 116753835) is 1-(4-methoxyoxan-4-yl)ethanol.
What is the SMILES notation for 1-(4-methoxyoxan-4-yl)ethanol?
The canonical SMILES for 1-(4-methoxyoxan-4-yl)ethanol is COC1(C(C)O)CCOCC1.
What is the InChIKey of 1-(4-methoxyoxan-4-yl)ethanol?
The InChIKey is LCKATMCNRYRKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-7(9)8(10-2)3-5-11-6-4-8/h7,9H,3-6H2,1-2H3.
What are the key properties of 1-(4-methoxyoxan-4-yl)ethanol?
1-(4-methoxyoxan-4-yl)ethanol has a molecular weight of 160.21 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyoxan-4-yl)ethanol is sourced from PubChem (CID 116753835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).