6-(phenylmethoxymethyl)-3-trityloxyoxan-2-ol

C32H32O4 — CID 164578316

IUPAC6-(phenylmethoxymethyl)-3-trityloxyoxan-2-ol
SMILESOC1OC(COCc2ccccc2)CCC1OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H32O4/c33-31-30(22-21-29(35-31)24-34-23-25-13-5-1-6-14-25)36-32(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-31,33H,21-24H2
InChIKeyITSNVAONRWJXRV-UHFFFAOYSA-N
MW480.60 g/mol
LogP6.08
Rot. Bonds9

About 6-(phenylmethoxymethyl)-3-trityloxyoxan-2-ol

6-(phenylmethoxymethyl)-3-trityloxyoxan-2-ol (PubChem CID 164578316) has the molecular formula C32H32O4 and a molecular weight of 480.60 g/mol. Its IUPAC name is 6-(phenylmethoxymethyl)-3-trityloxyoxan-2-ol.

Molecular Properties

Compound Name6-(phenylmethoxymethyl)-3-trityloxyoxan-2-ol
PubChem CID164578316
Molecular FormulaC32H32O4
Molecular Weight480.60 g/mol
Exact Mass480.23
IUPAC Name6-(phenylmethoxymethyl)-3-trityloxyoxan-2-ol
SMILESOC1OC(COCc2ccccc2)CCC1OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H32O4/c33-31-30(22-21-29(35-31)24-34-23-25-13-5-1-6-14-25)36-32(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-31,33H,21-24H2
InChIKeyITSNVAONRWJXRV-UHFFFAOYSA-N
XLogP6.08
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.60
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[2-[(2S,5R,6R)-6-(phenylmethoxymethyl)-5-trityloxyoxan-2-yl]ethynyl]silane
CID 175267001
(2S,3S,4R,5S,6R)-5-[(2R,3S,4S,5S,6R)-3,4-dihydroxy-6-(phenylmethoxymethyl)-5-trityloxyoxan-2-yl]oxy-6-(phenylmethoxymethyl)oxane-2,3,4-triol
CID 171127058
trimethyl-[[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]silane
CID 100983477
[4-(phenylmethoxymethyl)-1,3-dioxan-2-yl]methanol
CID 23452412
(6S)-3-hydroxy-6-(phenylmethoxymethyl)oxan-2-one
CID 67831333
methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate
CID 72501445
2-bromo-1-[5-(phenylmethoxymethyl)oxolan-2-yl]ethanone
CID 155043251
(6S)-2-ethyl-6-(phenylmethoxymethyl)oxane
CID 139257658
2-[[5-(phenylmethoxymethyl)oxolan-2-yl]methoxy]-N,N-dipropylacetamide
CID 12888743
2-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 74402872
(1R,2S,5S)-2-phenylmethoxy-1-(phenylmethoxymethyl)-5-trityloxycyclopentan-1-ol
CID 156903596
(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
CID 176754636

Frequently Asked Questions

What is the IUPAC name of 6-(phenylmethoxymethyl)-3-trityloxyoxan-2-ol?
The IUPAC name of 6-(phenylmethoxymethyl)-3-trityloxyoxan-2-ol (CID 164578316) is 6-(phenylmethoxymethyl)-3-trityloxyoxan-2-ol.
What is the SMILES notation for 6-(phenylmethoxymethyl)-3-trityloxyoxan-2-ol?
The canonical SMILES for 6-(phenylmethoxymethyl)-3-trityloxyoxan-2-ol is OC1OC(COCc2ccccc2)CCC1OC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-(phenylmethoxymethyl)-3-trityloxyoxan-2-ol?
The InChIKey is ITSNVAONRWJXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32O4/c33-31-30(22-21-29(35-31)24-34-23-25-13-5-1-6-14-25)36-32(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-31,33H,21-24H2.
What are the key properties of 6-(phenylmethoxymethyl)-3-trityloxyoxan-2-ol?
6-(phenylmethoxymethyl)-3-trityloxyoxan-2-ol has a molecular weight of 480.60 g/mol, XLogP of 6.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(phenylmethoxymethyl)-3-trityloxyoxan-2-ol is sourced from PubChem (CID 164578316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).