(2S,3R,4R,6S)-6-tert-butyl-3-methyl-4-phenylmethoxyoxan-2-ol

C17H26O3 — CID 101089037

IUPAC(2S,3R,4R,6S)-6-tert-butyl-3-methyl-4-phenylmethoxyoxan-2-ol
SMILESC[C@H]1[C@@H](O)O[C@H](C(C)(C)C)C[C@H]1OCc1ccccc1
InChIInChI=1S/C17H26O3/c1-12-14(19-11-13-8-6-5-7-9-13)10-15(17(2,3)4)20-16(12)18/h5-9,12,14-16,18H,10-11H2,1-4H3/t12-,14-,15+,16+/m1/s1
InChIKeyQOGCZOOWPRFBOL-OJLVUWQFSA-N
MW278.39 g/mol
LogP3.36
Rot. Bonds3

About (2S,3R,4R,6S)-6-tert-butyl-3-methyl-4-phenylmethoxyoxan-2-ol

(2S,3R,4R,6S)-6-tert-butyl-3-methyl-4-phenylmethoxyoxan-2-ol (PubChem CID 101089037) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is (2S,3R,4R,6S)-6-tert-butyl-3-methyl-4-phenylmethoxyoxan-2-ol.

Molecular Properties

Compound Name(2S,3R,4R,6S)-6-tert-butyl-3-methyl-4-phenylmethoxyoxan-2-ol
PubChem CID101089037
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name(2S,3R,4R,6S)-6-tert-butyl-3-methyl-4-phenylmethoxyoxan-2-ol
SMILESC[C@H]1[C@@H](O)O[C@H](C(C)(C)C)C[C@H]1OCc1ccccc1
InChIInChI=1S/C17H26O3/c1-12-14(19-11-13-8-6-5-7-9-13)10-15(17(2,3)4)20-16(12)18/h5-9,12,14-16,18H,10-11H2,1-4H3/t12-,14-,15+,16+/m1/s1
InChIKeyQOGCZOOWPRFBOL-OJLVUWQFSA-N
XLogP3.36
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,3R,4R,6S)-6-tert-butyl-3-methyl-4-phenylmethoxyoxan-2-ol with MolForge

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Related Compounds

(2S,3S,4R,6S)-6-methyl-3,4-bis(phenylmethoxy)oxan-2-ol
CID 10042151
(1R,3R,4S)-3-methyl-4-phenylmethoxycyclopentan-1-ol
CID 134527646
(2R,3R,5R)-5-ethyl-3-methyl-4-phenylmethoxyoxolan-2-ol
CID 121322520
(5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol
CID 126612131
(1S,2S,3R,4R,6R)-4-methyl-3,6-bis(phenylmethoxy)cyclohexane-1,2-diol
CID 10569320
[(2S,3S,5R)-6-hydroxy-2-methyl-5-phenylmethoxyoxan-3-yl] benzoate
CID 57333728
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
2-methyl-6-phenylmethoxyoxan-4-ol
CID 162749545
tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-phenylmethoxycyclohexyl]oxy-dimethylsilane
CID 67591786
(1R,2R,3R,5S)-5-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-ol
CID 59979356
(2R,3S,4R,6S)-2-methyl-3,6-bis(phenylmethoxy)oxan-4-ol
CID 14466621
(1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-6-oxabicyclo[3.1.0]hexane
CID 15567135

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,6S)-6-tert-butyl-3-methyl-4-phenylmethoxyoxan-2-ol?
The IUPAC name of (2S,3R,4R,6S)-6-tert-butyl-3-methyl-4-phenylmethoxyoxan-2-ol (CID 101089037) is (2S,3R,4R,6S)-6-tert-butyl-3-methyl-4-phenylmethoxyoxan-2-ol.
What is the SMILES notation for (2S,3R,4R,6S)-6-tert-butyl-3-methyl-4-phenylmethoxyoxan-2-ol?
The canonical SMILES for (2S,3R,4R,6S)-6-tert-butyl-3-methyl-4-phenylmethoxyoxan-2-ol is C[C@H]1[C@@H](O)O[C@H](C(C)(C)C)C[C@H]1OCc1ccccc1.
What is the InChIKey of (2S,3R,4R,6S)-6-tert-butyl-3-methyl-4-phenylmethoxyoxan-2-ol?
The InChIKey is QOGCZOOWPRFBOL-OJLVUWQFSA-N. The full InChI is InChI=1S/C17H26O3/c1-12-14(19-11-13-8-6-5-7-9-13)10-15(17(2,3)4)20-16(12)18/h5-9,12,14-16,18H,10-11H2,1-4H3/t12-,14-,15+,16+/m1/s1.
What are the key properties of (2S,3R,4R,6S)-6-tert-butyl-3-methyl-4-phenylmethoxyoxan-2-ol?
(2S,3R,4R,6S)-6-tert-butyl-3-methyl-4-phenylmethoxyoxan-2-ol has a molecular weight of 278.39 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,6S)-6-tert-butyl-3-methyl-4-phenylmethoxyoxan-2-ol is sourced from PubChem (CID 101089037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).