(5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol

C20H24O4 — CID 126612131

IUPAC(5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol
SMILESCC1OC(O)CC(OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C20H24O4/c1-15-20(23-14-17-10-6-3-7-11-17)18(12-19(21)24-15)22-13-16-8-4-2-5-9-16/h2-11,15,18-21H,12-14H2,1H3/t15?,18?,19?,20-/m0/s1
InChIKeyAPVJUMDRDYTWEV-DJKWIZAZSA-N
MW328.41 g/mol
LogP3.28
Rot. Bonds6

About (5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol

(5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol (PubChem CID 126612131) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is (5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol.

Molecular Properties

Compound Name(5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol
PubChem CID126612131
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name(5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol
SMILESCC1OC(O)CC(OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C20H24O4/c1-15-20(23-14-17-10-6-3-7-11-17)18(12-19(21)24-15)22-13-16-8-4-2-5-9-16/h2-11,15,18-21H,12-14H2,1H3/t15?,18?,19?,20-/m0/s1
InChIKeyAPVJUMDRDYTWEV-DJKWIZAZSA-N
XLogP3.28
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,3R,4R)-6-hydroxy-2-methyl-4-phenylmethoxyoxan-3-yl] benzoate
CID 14768720
(2R,3S,4R,6S)-2-methyl-3,6-bis(phenylmethoxy)oxan-4-ol
CID 14466621
(2S,3S,4R,6S)-6-methyl-3,4-bis(phenylmethoxy)oxan-2-ol
CID 10042151
(2S,4R,5R,6S)-4,5-bis(phenylmethoxy)-6-(trifluoromethyl)oxan-2-ol
CID 67569911
(2R,4R,5R,6R)-5-[(2S,4R,5R,6R)-5-hydroxy-4-[(4-methoxyphenyl)methoxy]-6-methyloxan-2-yl]oxy-6-methyl-4-phenylmethoxyoxan-2-ol
CID 171126123
(1R,2R,3R,5S)-5-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-ol
CID 59979356
(2S,3S,5S)-2,6-dimethyl-4-phenylmethoxyoxane-3,5-diol
CID 167585367
(1S,2S,3R,4R,6R)-4-methyl-3,6-bis(phenylmethoxy)cyclohexane-1,2-diol
CID 10569320
[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 170405483
(2R,3S,4S,5R,6R)-2-methyl-3,5,6-tris(phenylmethoxy)oxan-4-ol
CID 11080578
(2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate
CID 59913097
[(4S,5S,6S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-yl] N,N-diethylcarbamodithioate
CID 101085076

Frequently Asked Questions

What is the IUPAC name of (5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol?
The IUPAC name of (5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol (CID 126612131) is (5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol.
What is the SMILES notation for (5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol?
The canonical SMILES for (5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol is CC1OC(O)CC(OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol?
The InChIKey is APVJUMDRDYTWEV-DJKWIZAZSA-N. The full InChI is InChI=1S/C20H24O4/c1-15-20(23-14-17-10-6-3-7-11-17)18(12-19(21)24-15)22-13-16-8-4-2-5-9-16/h2-11,15,18-21H,12-14H2,1H3/t15?,18?,19?,20-/m0/s1.
What are the key properties of (5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol?
(5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol has a molecular weight of 328.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol is sourced from PubChem (CID 126612131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).