4-(trityloxymethyl)cyclohex-2-ene-1,2-diol

C26H26O3 — CID 67634186

IUPAC4-(trityloxymethyl)cyclohex-2-ene-1,2-diol
SMILESOC1=CC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)CCC1O
InChIInChI=1S/C26H26O3/c27-24-17-16-20(18-25(24)28)19-29-26(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,18,20,24,27-28H,16-17,19H2
InChIKeyXJZPXOQRMAZYPK-UHFFFAOYSA-N
MW386.49 g/mol
LogP5.21
Rot. Bonds6

About 4-(trityloxymethyl)cyclohex-2-ene-1,2-diol

4-(trityloxymethyl)cyclohex-2-ene-1,2-diol (PubChem CID 67634186) has the molecular formula C26H26O3 and a molecular weight of 386.49 g/mol. Its IUPAC name is 4-(trityloxymethyl)cyclohex-2-ene-1,2-diol.

Molecular Properties

Compound Name4-(trityloxymethyl)cyclohex-2-ene-1,2-diol
PubChem CID67634186
Molecular FormulaC26H26O3
Molecular Weight386.49 g/mol
Exact Mass386.19
IUPAC Name4-(trityloxymethyl)cyclohex-2-ene-1,2-diol
SMILESOC1=CC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)CCC1O
InChIInChI=1S/C26H26O3/c27-24-17-16-20(18-25(24)28)19-29-26(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,18,20,24,27-28H,16-17,19H2
InChIKeyXJZPXOQRMAZYPK-UHFFFAOYSA-N
XLogP5.21
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.49
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylidene-3-(trityloxymethyl)cyclopentan-1-ol
CID 141267645
(1S,4R)-4-(trityloxymethyl)cyclopent-2-en-1-ol
CID 10021190
3-(trityloxymethyl)cyclobutan-1-ol
CID 14796870
(2S,4S,5R)-5-(trityloxymethyl)oxolane-2,4-diol
CID 171126516
(1S,2R,3R,4S)-3,4-dihydroxy-2-(trityloxymethyl)cyclopentane-1-carbonitrile
CID 53349932
2-(trityloxymethyl)oxane-3,4-diol
CID 85275479
(3S,5S)-3-hydroxy-5-(trityloxymethyl)oxolan-2-one
CID 15478722
2-(trityloxymethyl)oxane-3,4,5-triol
CID 73104798
(2S,3R,4R)-2-(trityloxymethyl)oxolane-3,4-diol
CID 101240446
(2S,3S,5S)-3-fluoro-5-(trityloxymethyl)oxolan-2-ol
CID 14859660
(3R,4S,5S,6R)-5-hydroxy-3,4-bis(methoxymethoxy)-6-(trityloxymethyl)piperidin-2-one
CID 10767913
[[(1S,4S)-3-fluoro-4-phenylmethoxycyclopent-2-en-1-yl]methoxy-diphenylmethyl]benzene
CID 11784532

Frequently Asked Questions

What is the IUPAC name of 4-(trityloxymethyl)cyclohex-2-ene-1,2-diol?
The IUPAC name of 4-(trityloxymethyl)cyclohex-2-ene-1,2-diol (CID 67634186) is 4-(trityloxymethyl)cyclohex-2-ene-1,2-diol.
What is the SMILES notation for 4-(trityloxymethyl)cyclohex-2-ene-1,2-diol?
The canonical SMILES for 4-(trityloxymethyl)cyclohex-2-ene-1,2-diol is OC1=CC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)CCC1O.
What is the InChIKey of 4-(trityloxymethyl)cyclohex-2-ene-1,2-diol?
The InChIKey is XJZPXOQRMAZYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O3/c27-24-17-16-20(18-25(24)28)19-29-26(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,18,20,24,27-28H,16-17,19H2.
What are the key properties of 4-(trityloxymethyl)cyclohex-2-ene-1,2-diol?
4-(trityloxymethyl)cyclohex-2-ene-1,2-diol has a molecular weight of 386.49 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trityloxymethyl)cyclohex-2-ene-1,2-diol is sourced from PubChem (CID 67634186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).