cyclohexanol;[cyclohexyloxy(diphenyl)methyl]benzene;trityl acetate

C52H56O4 — CID 157240030

IUPACcyclohexanol;[cyclohexyloxy(diphenyl)methyl]benzene;trityl acetate
SMILESCC(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1.OC1CCCCC1.c1ccc(C(OC2CCCCC2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H26O.C21H18O2.C6H12O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)26-24-19-11-4-12-20-24;1-17(22)23-21(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;7-6-4-2-1-3-5-6/h1-3,5-10,13-18,24H,4,11-12,19-20H2;2-16H,1H3;6-7H,1-5H2
InChIKeyAVCGHKRCVKZAOU-UHFFFAOYSA-N
MW745.02 g/mol
LogP12.18
Rot. Bonds9

About cyclohexanol;[cyclohexyloxy(diphenyl)methyl]benzene;trityl acetate

cyclohexanol;[cyclohexyloxy(diphenyl)methyl]benzene;trityl acetate (PubChem CID 157240030) has the molecular formula C52H56O4 and a molecular weight of 745.02 g/mol. Its IUPAC name is cyclohexanol;[cyclohexyloxy(diphenyl)methyl]benzene;trityl acetate.

Molecular Properties

Compound Namecyclohexanol;[cyclohexyloxy(diphenyl)methyl]benzene;trityl acetate
PubChem CID157240030
Molecular FormulaC52H56O4
Molecular Weight745.02 g/mol
Exact Mass744.42
IUPAC Namecyclohexanol;[cyclohexyloxy(diphenyl)methyl]benzene;trityl acetate
SMILESCC(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1.OC1CCCCC1.c1ccc(C(OC2CCCCC2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H26O.C21H18O2.C6H12O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)26-24-19-11-4-12-20-24;1-17(22)23-21(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;7-6-4-2-1-3-5-6/h1-3,5-10,13-18,24H,4,11-12,19-20H2;2-16H,1H3;6-7H,1-5H2
InChIKeyAVCGHKRCVKZAOU-UHFFFAOYSA-N
XLogP12.18
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.02
LogP ≤ 512.18
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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Frequently Asked Questions

What is the IUPAC name of cyclohexanol;[cyclohexyloxy(diphenyl)methyl]benzene;trityl acetate?
The IUPAC name of cyclohexanol;[cyclohexyloxy(diphenyl)methyl]benzene;trityl acetate (CID 157240030) is cyclohexanol;[cyclohexyloxy(diphenyl)methyl]benzene;trityl acetate.
What is the SMILES notation for cyclohexanol;[cyclohexyloxy(diphenyl)methyl]benzene;trityl acetate?
The canonical SMILES for cyclohexanol;[cyclohexyloxy(diphenyl)methyl]benzene;trityl acetate is CC(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1.OC1CCCCC1.c1ccc(C(OC2CCCCC2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of cyclohexanol;[cyclohexyloxy(diphenyl)methyl]benzene;trityl acetate?
The InChIKey is AVCGHKRCVKZAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O.C21H18O2.C6H12O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)26-24-19-11-4-12-20-24;1-17(22)23-21(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;7-6-4-2-1-3-5-6/h1-3,5-10,13-18,24H,4,11-12,19-20H2;2-16H,1H3;6-7H,1-5H2.
What are the key properties of cyclohexanol;[cyclohexyloxy(diphenyl)methyl]benzene;trityl acetate?
cyclohexanol;[cyclohexyloxy(diphenyl)methyl]benzene;trityl acetate has a molecular weight of 745.02 g/mol, XLogP of 12.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanol;[cyclohexyloxy(diphenyl)methyl]benzene;trityl acetate is sourced from PubChem (CID 157240030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).