[(2R)-2-hydroxy-2-[(2S,5R)-5-[(2S,5R)-5-(1-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethyl] acetate

C17H30O6 — CID 101214293

IUPAC[(2R)-2-hydroxy-2-[(2S,5R)-5-[(2S,5R)-5-(1-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethyl] acetate
SMILESCC(=O)OC[C@@H](O)[C@]1(C)CC[C@H]([C@]2(C)CC[C@H](C(C)CO)O2)O1
InChIInChI=1S/C17H30O6/c1-11(9-18)13-5-7-17(4,22-13)15-6-8-16(3,23-15)14(20)10-21-12(2)19/h11,13-15,18,20H,5-10H2,1-4H3/t11?,13-,14-,15-,16+,17+/m1/s1
InChIKeyVXFJLIGPJBOUPO-UPGMUAQQSA-N
MW330.42 g/mol
LogP1.41
Rot. Bonds6

About [(2R)-2-hydroxy-2-[(2S,5R)-5-[(2S,5R)-5-(1-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethyl] acetate

[(2R)-2-hydroxy-2-[(2S,5R)-5-[(2S,5R)-5-(1-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethyl] acetate (PubChem CID 101214293) has the molecular formula C17H30O6 and a molecular weight of 330.42 g/mol. Its IUPAC name is [(2R)-2-hydroxy-2-[(2S,5R)-5-[(2S,5R)-5-(1-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethyl] acetate.

Molecular Properties

Compound Name[(2R)-2-hydroxy-2-[(2S,5R)-5-[(2S,5R)-5-(1-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethyl] acetate
PubChem CID101214293
Molecular FormulaC17H30O6
Molecular Weight330.42 g/mol
Exact Mass330.20
IUPAC Name[(2R)-2-hydroxy-2-[(2S,5R)-5-[(2S,5R)-5-(1-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethyl] acetate
SMILESCC(=O)OC[C@@H](O)[C@]1(C)CC[C@H]([C@]2(C)CC[C@H](C(C)CO)O2)O1
InChIInChI=1S/C17H30O6/c1-11(9-18)13-5-7-17(4,22-13)15-6-8-16(3,23-15)14(20)10-21-12(2)19/h11,13-15,18,20H,5-10H2,1-4H3/t11?,13-,14-,15-,16+,17+/m1/s1
InChIKeyVXFJLIGPJBOUPO-UPGMUAQQSA-N
XLogP1.41
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(3S,4aR,6aS,10aS,10bR)-3,4a,7,7,10a-pentamethyl-1-oxo-2,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromen-3-yl]-2-hydroxyethyl] acetate
CID 15226676
[(2R)-2-[(4R,5R)-5-[(1R)-2-acetyloxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl] acetate
CID 118615098
(2R)-2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-1-ol
CID 162923110
[(E)-5-[(3S)-6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]hex-4-enyl] acetate
CID 102441460
2-[(1S,2E,6R,8R,11E,15R)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-dien-3-yl]propyl acetate
CID 162970612
2-methylpropyl acetate;hydrate
CID 86585368
[2-hydroxy-3-[(6-methyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)amino]propyl] 6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 59364606
ethyl (2R)-2-hydroxy-2-[(2S,5R)-5-[(2R)-5-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]acetate
CID 10871700
copper;2,3-dihydroxypropyl acetate
CID 175414462
ethanol;2-hydroxypropyl acetate
CID 88717262
2-(4-acetyloxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)propyl acetate
CID 21218598
[(E,6R)-6-hydroxy-6-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhex-2-enyl] acetate
CID 72695955

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-2-[(2S,5R)-5-[(2S,5R)-5-(1-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethyl] acetate?
The IUPAC name of [(2R)-2-hydroxy-2-[(2S,5R)-5-[(2S,5R)-5-(1-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethyl] acetate (CID 101214293) is [(2R)-2-hydroxy-2-[(2S,5R)-5-[(2S,5R)-5-(1-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethyl] acetate.
What is the SMILES notation for [(2R)-2-hydroxy-2-[(2S,5R)-5-[(2S,5R)-5-(1-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethyl] acetate?
The canonical SMILES for [(2R)-2-hydroxy-2-[(2S,5R)-5-[(2S,5R)-5-(1-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethyl] acetate is CC(=O)OC[C@@H](O)[C@]1(C)CC[C@H]([C@]2(C)CC[C@H](C(C)CO)O2)O1.
What is the InChIKey of [(2R)-2-hydroxy-2-[(2S,5R)-5-[(2S,5R)-5-(1-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethyl] acetate?
The InChIKey is VXFJLIGPJBOUPO-UPGMUAQQSA-N. The full InChI is InChI=1S/C17H30O6/c1-11(9-18)13-5-7-17(4,22-13)15-6-8-16(3,23-15)14(20)10-21-12(2)19/h11,13-15,18,20H,5-10H2,1-4H3/t11?,13-,14-,15-,16+,17+/m1/s1.
What are the key properties of [(2R)-2-hydroxy-2-[(2S,5R)-5-[(2S,5R)-5-(1-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethyl] acetate?
[(2R)-2-hydroxy-2-[(2S,5R)-5-[(2S,5R)-5-(1-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethyl] acetate has a molecular weight of 330.42 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-2-[(2S,5R)-5-[(2S,5R)-5-(1-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethyl] acetate is sourced from PubChem (CID 101214293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).