[(2R,3S,4S)-3,4-dimethyl-3,4-dihydro-2H-pyran-2-yl]methyl acetate

C10H16O3 — CID 170093751

IUPAC[(2R,3S,4S)-3,4-dimethyl-3,4-dihydro-2H-pyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1OC=C[C@H](C)[C@@H]1C
InChIInChI=1S/C10H16O3/c1-7-4-5-12-10(8(7)2)6-13-9(3)11/h4-5,7-8,10H,6H2,1-3H3/t7-,8-,10-/m0/s1
InChIKeyRAGFNSQVDRGOJS-NRPADANISA-N
MW184.23 g/mol
LogP1.73
Rot. Bonds2

About [(2R,3S,4S)-3,4-dimethyl-3,4-dihydro-2H-pyran-2-yl]methyl acetate

[(2R,3S,4S)-3,4-dimethyl-3,4-dihydro-2H-pyran-2-yl]methyl acetate (PubChem CID 170093751) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is [(2R,3S,4S)-3,4-dimethyl-3,4-dihydro-2H-pyran-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,4S)-3,4-dimethyl-3,4-dihydro-2H-pyran-2-yl]methyl acetate
PubChem CID170093751
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name[(2R,3S,4S)-3,4-dimethyl-3,4-dihydro-2H-pyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1OC=C[C@H](C)[C@@H]1C
InChIInChI=1S/C10H16O3/c1-7-4-5-12-10(8(7)2)6-13-9(3)11/h4-5,7-8,10H,6H2,1-3H3/t7-,8-,10-/m0/s1
InChIKeyRAGFNSQVDRGOJS-NRPADANISA-N
XLogP1.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,3R,4R)-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 14308101
[(2R,3R,4R)-3,4-diacetyloxy-(513C)3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 118855924
[(2R,3S,4R)-3-acetyloxy-4-cyano-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 10399332
[(2R,3S)-2-ethyl-3-methyl-3,4-dihydro-2H-pyran-4-yl] acetate
CID 174153839
[(2R,3S,4S,5S)-3-acetyloxy-4,5-dimethyloxolan-2-yl]methyl acetate
CID 58159411
[(2R,3S,6S)-3-acetyloxy-6-methyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 11264656
[(4R,5R)-5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate
CID 14157593
[5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate
CID 14157591
[(3S,4R,6S)-3,4-diacetyloxy-5,6-dimethyloxan-2-yl]methyl acetate
CID 71155336
[(2R,3R)-3-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate
CID 11031606
(3-acetyloxy-4,5,6-trimethyloxan-2-yl)methyl acetate
CID 70208070
[(2R,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl acetate
CID 11062516

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S)-3,4-dimethyl-3,4-dihydro-2H-pyran-2-yl]methyl acetate?
The IUPAC name of [(2R,3S,4S)-3,4-dimethyl-3,4-dihydro-2H-pyran-2-yl]methyl acetate (CID 170093751) is [(2R,3S,4S)-3,4-dimethyl-3,4-dihydro-2H-pyran-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,4S)-3,4-dimethyl-3,4-dihydro-2H-pyran-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,4S)-3,4-dimethyl-3,4-dihydro-2H-pyran-2-yl]methyl acetate is CC(=O)OC[C@@H]1OC=C[C@H](C)[C@@H]1C.
What is the InChIKey of [(2R,3S,4S)-3,4-dimethyl-3,4-dihydro-2H-pyran-2-yl]methyl acetate?
The InChIKey is RAGFNSQVDRGOJS-NRPADANISA-N. The full InChI is InChI=1S/C10H16O3/c1-7-4-5-12-10(8(7)2)6-13-9(3)11/h4-5,7-8,10H,6H2,1-3H3/t7-,8-,10-/m0/s1.
What are the key properties of [(2R,3S,4S)-3,4-dimethyl-3,4-dihydro-2H-pyran-2-yl]methyl acetate?
[(2R,3S,4S)-3,4-dimethyl-3,4-dihydro-2H-pyran-2-yl]methyl acetate has a molecular weight of 184.23 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S)-3,4-dimethyl-3,4-dihydro-2H-pyran-2-yl]methyl acetate is sourced from PubChem (CID 170093751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).