[(5R)-5-phenylmethoxyoxan-2-yl] acetate

C14H18O4 — CID 102211258

IUPAC[(5R)-5-phenylmethoxyoxan-2-yl] acetate
SMILESCC(=O)OC1CC[C@@H](OCc2ccccc2)CO1
InChIInChI=1S/C14H18O4/c1-11(15)18-14-8-7-13(10-17-14)16-9-12-5-3-2-4-6-12/h2-6,13-14H,7-10H2,1H3/t13-,14?/m1/s1
InChIKeyNNSSJWBVPLNZQX-KWCCSABGSA-N
MW250.29 g/mol
LogP2.27
Rot. Bonds4

About [(5R)-5-phenylmethoxyoxan-2-yl] acetate

[(5R)-5-phenylmethoxyoxan-2-yl] acetate (PubChem CID 102211258) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is [(5R)-5-phenylmethoxyoxan-2-yl] acetate.

Molecular Properties

Compound Name[(5R)-5-phenylmethoxyoxan-2-yl] acetate
PubChem CID102211258
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name[(5R)-5-phenylmethoxyoxan-2-yl] acetate
SMILESCC(=O)OC1CC[C@@H](OCc2ccccc2)CO1
InChIInChI=1S/C14H18O4/c1-11(15)18-14-8-7-13(10-17-14)16-9-12-5-3-2-4-6-12/h2-6,13-14H,7-10H2,1H3/t13-,14?/m1/s1
InChIKeyNNSSJWBVPLNZQX-KWCCSABGSA-N
XLogP2.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5S)-2-(1-phenylethenoxy)-5-phenylmethoxyoxane
CID 102030081
(5S)-5-phenylmethoxyoxan-2-ol
CID 138637450
[(3R)-3-phenylmethoxyoxolan-2-yl] acetate
CID 134857022
[3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
CID 73019389
[(1R,4R,5S,6S)-4,5,6-tris(phenylmethoxy)cyclohex-2-en-1-yl] acetate
CID 11396973
(3-acetyloxy-2-phenylmethoxyoxan-4-yl) acetate
CID 23271774
[(2S,3S,4R,5R,6R)-4,5-diacetyloxy-2-methyl-6-phenylmethoxyoxan-3-yl] acetate
CID 2747755
[(3S,4R,5R,6S)-2-hydroxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-yl] acetate
CID 14505002
[(2R,4S,5S)-2-hydroxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 70841959
[(1R,2R,3S,4R,5R)-4-acetyloxy-3-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate
CID 14033686
[6-[3,4,5-tris(phenylmethoxy)benzoyl]oxyoxan-3-yl] 3,5-dihydroxy-4-phenylmethoxybenzoate
CID 140617297
[(2R,3S,5R,6S)-2,6-dihydroxy-3,4,5-tris(phenylmethoxy)cyclohexyl] acetate
CID 100921480

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-phenylmethoxyoxan-2-yl] acetate?
The IUPAC name of [(5R)-5-phenylmethoxyoxan-2-yl] acetate (CID 102211258) is [(5R)-5-phenylmethoxyoxan-2-yl] acetate.
What is the SMILES notation for [(5R)-5-phenylmethoxyoxan-2-yl] acetate?
The canonical SMILES for [(5R)-5-phenylmethoxyoxan-2-yl] acetate is CC(=O)OC1CC[C@@H](OCc2ccccc2)CO1.
What is the InChIKey of [(5R)-5-phenylmethoxyoxan-2-yl] acetate?
The InChIKey is NNSSJWBVPLNZQX-KWCCSABGSA-N. The full InChI is InChI=1S/C14H18O4/c1-11(15)18-14-8-7-13(10-17-14)16-9-12-5-3-2-4-6-12/h2-6,13-14H,7-10H2,1H3/t13-,14?/m1/s1.
What are the key properties of [(5R)-5-phenylmethoxyoxan-2-yl] acetate?
[(5R)-5-phenylmethoxyoxan-2-yl] acetate has a molecular weight of 250.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-phenylmethoxyoxan-2-yl] acetate is sourced from PubChem (CID 102211258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).