5-(trityloxymethyl)-1,3-benzodioxole

C27H22O3 — CID 86212660

IUPAC5-(trityloxymethyl)-1,3-benzodioxole
SMILESc1ccc(C(OCc2ccc3c(c2)OCO3)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H22O3/c1-4-10-22(11-5-1)27(23-12-6-2-7-13-23,24-14-8-3-9-15-24)30-19-21-16-17-25-26(18-21)29-20-28-25/h1-18H,19-20H2
InChIKeyZXBGBJMOEPVMKS-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.92
Rot. Bonds6

About 5-(trityloxymethyl)-1,3-benzodioxole

5-(trityloxymethyl)-1,3-benzodioxole (PubChem CID 86212660) has the molecular formula C27H22O3 and a molecular weight of 394.47 g/mol. Its IUPAC name is 5-(trityloxymethyl)-1,3-benzodioxole.

Molecular Properties

Compound Name5-(trityloxymethyl)-1,3-benzodioxole
PubChem CID86212660
Molecular FormulaC27H22O3
Molecular Weight394.47 g/mol
Exact Mass394.16
IUPAC Name5-(trityloxymethyl)-1,3-benzodioxole
SMILESc1ccc(C(OCc2ccc3c(c2)OCO3)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H22O3/c1-4-10-22(11-5-1)27(23-12-6-2-7-13-23,24-14-8-3-9-15-24)30-19-21-16-17-25-26(18-21)29-20-28-25/h1-18H,19-20H2
InChIKeyZXBGBJMOEPVMKS-UHFFFAOYSA-N
XLogP5.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

O-(1,3-benzodioxol-5-ylmethyl)hydroxylamine
CID 22419624
2-(1,3-benzodioxol-5-ylmethoxy)-2-methylbutanoic acid
CID 131871962
5-(methoxymethoxymethyl)-1,3-benzodioxole
CID 20689919
5-(difluoromethoxymethyl)-1,3-benzodioxole
CID 162716617
2-(1,3-benzodioxol-5-ylmethoxy)aniline
CID 11791381
N-(1,3-benzodioxol-5-ylmethyl)-N-benzylhydroxylamine
CID 86077029
1,3-benzodioxol-5-ylmethyl cyanate
CID 71424402
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,2,2-triphenylacetamide
CID 11774905
benzyl 3-(1,3-benzodioxol-5-yl)-2-oxopropanoate
CID 134392561
1-propyl-4-(trityloxymethyl)benzene
CID 129275643
5-(2,2,2-trifluoroethyl)-1,3-benzodioxole
CID 116932124
3-(1,3-benzodioxol-5-ylmethoxy)benzenethiol
CID 146183968

Frequently Asked Questions

What is the IUPAC name of 5-(trityloxymethyl)-1,3-benzodioxole?
The IUPAC name of 5-(trityloxymethyl)-1,3-benzodioxole (CID 86212660) is 5-(trityloxymethyl)-1,3-benzodioxole.
What is the SMILES notation for 5-(trityloxymethyl)-1,3-benzodioxole?
The canonical SMILES for 5-(trityloxymethyl)-1,3-benzodioxole is c1ccc(C(OCc2ccc3c(c2)OCO3)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 5-(trityloxymethyl)-1,3-benzodioxole?
The InChIKey is ZXBGBJMOEPVMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O3/c1-4-10-22(11-5-1)27(23-12-6-2-7-13-23,24-14-8-3-9-15-24)30-19-21-16-17-25-26(18-21)29-20-28-25/h1-18H,19-20H2.
What are the key properties of 5-(trityloxymethyl)-1,3-benzodioxole?
5-(trityloxymethyl)-1,3-benzodioxole has a molecular weight of 394.47 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trityloxymethyl)-1,3-benzodioxole is sourced from PubChem (CID 86212660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).