(2S)-2-methyl-5-[(2S)-1-phenylmethoxypropan-2-yl]oxyoxane

C16H24O3 — CID 163402353

IUPAC(2S)-2-methyl-5-[(2S)-1-phenylmethoxypropan-2-yl]oxyoxane
SMILESC[C@H]1CCC(O[C@@H](C)COCc2ccccc2)CO1
InChIInChI=1S/C16H24O3/c1-13-8-9-16(12-18-13)19-14(2)10-17-11-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3/t13-,14-,16?/m0/s1
InChIKeyGMKYNKNKOHZLQJ-ADTLFGHVSA-N
MW264.37 g/mol
LogP3.18
Rot. Bonds6

About (2S)-2-methyl-5-[(2S)-1-phenylmethoxypropan-2-yl]oxyoxane

(2S)-2-methyl-5-[(2S)-1-phenylmethoxypropan-2-yl]oxyoxane (PubChem CID 163402353) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S)-2-methyl-5-[(2S)-1-phenylmethoxypropan-2-yl]oxyoxane.

Molecular Properties

Compound Name(2S)-2-methyl-5-[(2S)-1-phenylmethoxypropan-2-yl]oxyoxane
PubChem CID163402353
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name(2S)-2-methyl-5-[(2S)-1-phenylmethoxypropan-2-yl]oxyoxane
SMILESC[C@H]1CCC(O[C@@H](C)COCc2ccccc2)CO1
InChIInChI=1S/C16H24O3/c1-13-8-9-16(12-18-13)19-14(2)10-17-11-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3/t13-,14-,16?/m0/s1
InChIKeyGMKYNKNKOHZLQJ-ADTLFGHVSA-N
XLogP3.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[(2R)-1-phenylmethoxypropan-2-yl]oxymethyl]oxirane
CID 90410381
(2S,4S)-2-methyl-4-phenylmethoxyoxolane
CID 25180326
2-[(2-methylpropan-2-yl)oxy]propoxymethylbenzene
CID 122595271
benzyl 5-propan-2-yloxyoxane-2-carboxylate
CID 121379741
(2R,5S)-5-benzyl-2-methyloxane
CID 15352618
2-[2-(1-phenylmethoxypropan-2-yloxy)ethoxy]oxane
CID 174202600
2-[1-(3-phenylmethoxybutoxy)propan-2-yloxy]oxane
CID 174209322
trans-(2S,5R)-5-methyl-2-[(2R)-1-phenylmethoxypropan-2-yl]cyclohexan-1-one
CID 10539288
(3-propan-2-yloxycyclobutyl)methoxymethylbenzene
CID 160749410
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
[(2S,3E)-2-methyl-3-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]propoxy]methylbenzene
CID 101088231
(2R)-2-[(1S)-2-[(4-methoxyphenyl)methoxy]-1-phenylmethoxyethyl]oxirane
CID 140633194

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-5-[(2S)-1-phenylmethoxypropan-2-yl]oxyoxane?
The IUPAC name of (2S)-2-methyl-5-[(2S)-1-phenylmethoxypropan-2-yl]oxyoxane (CID 163402353) is (2S)-2-methyl-5-[(2S)-1-phenylmethoxypropan-2-yl]oxyoxane.
What is the SMILES notation for (2S)-2-methyl-5-[(2S)-1-phenylmethoxypropan-2-yl]oxyoxane?
The canonical SMILES for (2S)-2-methyl-5-[(2S)-1-phenylmethoxypropan-2-yl]oxyoxane is C[C@H]1CCC(O[C@@H](C)COCc2ccccc2)CO1.
What is the InChIKey of (2S)-2-methyl-5-[(2S)-1-phenylmethoxypropan-2-yl]oxyoxane?
The InChIKey is GMKYNKNKOHZLQJ-ADTLFGHVSA-N. The full InChI is InChI=1S/C16H24O3/c1-13-8-9-16(12-18-13)19-14(2)10-17-11-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3/t13-,14-,16?/m0/s1.
What are the key properties of (2S)-2-methyl-5-[(2S)-1-phenylmethoxypropan-2-yl]oxyoxane?
(2S)-2-methyl-5-[(2S)-1-phenylmethoxypropan-2-yl]oxyoxane has a molecular weight of 264.37 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-5-[(2S)-1-phenylmethoxypropan-2-yl]oxyoxane is sourced from PubChem (CID 163402353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).