acetic acid;(6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol

C11H20O5 — CID 70572460

IUPACacetic acid;(6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol
SMILESCC(=O)O.CCOC1C=CC(C)C(CO)O1
InChIInChI=1S/C9H16O3.C2H4O2/c1-3-11-9-5-4-7(2)8(6-10)12-9;1-2(3)4/h4-5,7-10H,3,6H2,1-2H3;1H3,(H,3,4)
InChIKeyYVMWHDAJBGIJEV-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.02
Rot. Bonds3

About acetic acid;(6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol

acetic acid;(6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol (PubChem CID 70572460) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is acetic acid;(6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol.

Molecular Properties

Compound Nameacetic acid;(6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol
PubChem CID70572460
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Nameacetic acid;(6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol
SMILESCC(=O)O.CCOC1C=CC(C)C(CO)O1
InChIInChI=1S/C9H16O3.C2H4O2/c1-3-11-9-5-4-7(2)8(6-10)12-9;1-2(3)4/h4-5,7-10H,3,6H2,1-2H3;1H3,(H,3,4)
InChIKeyYVMWHDAJBGIJEV-UHFFFAOYSA-N
XLogP1.02
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2R,3S,6R)-3-bromo-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methanol
CID 101192067
[(2R,3R,6S)-3-acetyloxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 12897404
[(2R,3S,6S)-2-(cyanomethyl)-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] acetate
CID 10242764
(2S,3R,6S)-6-ethoxy-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol
CID 131844419
2-[(2R,3R,4S,5S,6R)-2-[[(2R,3S,6R)-6-ethoxy-2-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid
CID 101193280
(3-benzoyloxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl)methyl benzoate
CID 12897407
(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-ol
CID 11748235
acetic acid;[(2S,3S)-3-propyloxiran-2-yl]methanol
CID 71423453
[(2S,3S,6S)-6-ethoxy-3-(triazol-1-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 101410076
(2R,3S,6S)-2-(azetidin-1-ylmethyl)-6-ethoxy-3,6-dihydro-2H-pyran-3-ol
CID 131852154
(3-ethoxy-5-methyloxolan-2-yl)methanol
CID 59687260
(2-ethoxy-5-methoxyimino-2H-pyran-6-yl)methanol
CID 131847214

Frequently Asked Questions

What is the IUPAC name of acetic acid;(6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol?
The IUPAC name of acetic acid;(6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol (CID 70572460) is acetic acid;(6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol.
What is the SMILES notation for acetic acid;(6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol?
The canonical SMILES for acetic acid;(6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol is CC(=O)O.CCOC1C=CC(C)C(CO)O1.
What is the InChIKey of acetic acid;(6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol?
The InChIKey is YVMWHDAJBGIJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3.C2H4O2/c1-3-11-9-5-4-7(2)8(6-10)12-9;1-2(3)4/h4-5,7-10H,3,6H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;(6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol?
acetic acid;(6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol has a molecular weight of 232.28 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol is sourced from PubChem (CID 70572460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).