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

C10H16O3 — CID 174153839

IUPAC[(2R,3S)-2-ethyl-3-methyl-3,4-dihydro-2H-pyran-4-yl] acetate
SMILESCC[C@H]1OC=CC(OC(C)=O)[C@H]1C
InChIInChI=1S/C10H16O3/c1-4-9-7(2)10(5-6-12-9)13-8(3)11/h5-7,9-10H,4H2,1-3H3/t7-,9+,10?/m0/s1
InChIKeyNWSUPBXDHGKAIP-CEVVRISASA-N
MW184.23 g/mol
LogP1.88
Rot. Bonds2

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

[(2R,3S)-2-ethyl-3-methyl-3,4-dihydro-2H-pyran-4-yl] acetate (PubChem CID 174153839) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is [(2R,3S)-2-ethyl-3-methyl-3,4-dihydro-2H-pyran-4-yl] acetate.

Molecular Properties

Compound Name[(2R,3S)-2-ethyl-3-methyl-3,4-dihydro-2H-pyran-4-yl] acetate
PubChem CID174153839
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name[(2R,3S)-2-ethyl-3-methyl-3,4-dihydro-2H-pyran-4-yl] acetate
SMILESCC[C@H]1OC=CC(OC(C)=O)[C@H]1C
InChIInChI=1S/C10H16O3/c1-4-9-7(2)10(5-6-12-9)13-8(3)11/h5-7,9-10H,4H2,1-3H3/t7-,9+,10?/m0/s1
InChIKeyNWSUPBXDHGKAIP-CEVVRISASA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyran-4-yl] 2-ethylbutanoate
CID 121445159
[(2R,3R,4R)-3,4-diacetyloxy-(513C)3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 118855924
[(2R,3S,4S)-3,4-dimethyl-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 170093751
[(2R,3S,4S,5S)-5-acetyloxy-2-ethyl-3,6-dimethyloxan-4-yl] acetate
CID 121295685
[(2R,4S,5S)-6-ethyl-4,5-dimethyl-2-sulfanyloxan-3-yl] acetate
CID 158354110
[(3R,4R)-4-acetyloxy-3,4-dihydro-2H-pyran-3-yl] acetate
CID 2734742
[(2S,3R,4R,5R,6R)-4,5-diacetyloxy-6-ethyl-2-methyloxan-3-yl] acetate
CID 90364742
[(2R,3S,4R)-4-(2-deuterioacetyl)oxy-3-hydroxy-3,4-dihydro-2H-pyran-2-yl]methyl 2-deuterioacetate
CID 139612461
[(1R,6R)-6-acetyloxycyclohexa-2,4-dien-1-yl] acetate
CID 12651509
[(3R,4S,5S,6R)-3-acetyloxy-2-bromo-6-ethyl-5-methyloxan-4-yl] acetate
CID 157456207
(2-amino-6-ethyl-4,5-dimethyloxan-3-yl) acetate
CID 158170533
(6-ethyl-3-(18F)fluoro-4,5-dimethyloxan-2-yl) acetate
CID 71289777

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-ethyl-3-methyl-3,4-dihydro-2H-pyran-4-yl] acetate?
The IUPAC name of [(2R,3S)-2-ethyl-3-methyl-3,4-dihydro-2H-pyran-4-yl] acetate (CID 174153839) is [(2R,3S)-2-ethyl-3-methyl-3,4-dihydro-2H-pyran-4-yl] acetate.
What is the SMILES notation for [(2R,3S)-2-ethyl-3-methyl-3,4-dihydro-2H-pyran-4-yl] acetate?
The canonical SMILES for [(2R,3S)-2-ethyl-3-methyl-3,4-dihydro-2H-pyran-4-yl] acetate is CC[C@H]1OC=CC(OC(C)=O)[C@H]1C.
What is the InChIKey of [(2R,3S)-2-ethyl-3-methyl-3,4-dihydro-2H-pyran-4-yl] acetate?
The InChIKey is NWSUPBXDHGKAIP-CEVVRISASA-N. The full InChI is InChI=1S/C10H16O3/c1-4-9-7(2)10(5-6-12-9)13-8(3)11/h5-7,9-10H,4H2,1-3H3/t7-,9+,10?/m0/s1.
What are the key properties of [(2R,3S)-2-ethyl-3-methyl-3,4-dihydro-2H-pyran-4-yl] acetate?
[(2R,3S)-2-ethyl-3-methyl-3,4-dihydro-2H-pyran-4-yl] acetate has a molecular weight of 184.23 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-ethyl-3-methyl-3,4-dihydro-2H-pyran-4-yl] acetate is sourced from PubChem (CID 174153839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).