6,6-dimethyl-3-(2-nitroso-2-trityloxyethyl)bicyclo[3.1.0]hexane

C29H31NO2 — CID 56993277

IUPAC6,6-dimethyl-3-(2-nitroso-2-trityloxyethyl)bicyclo[3.1.0]hexane
SMILESCC1(C)C2CC(CC(N=O)OC(c3ccccc3)(c3ccccc3)c3ccccc3)CC21
InChIInChI=1S/C29H31NO2/c1-28(2)25-18-21(19-26(25)28)20-27(30-31)32-29(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,21,25-27H,18-20H2,1-2H3
InChIKeyOQZNUTJFZTZHEI-UHFFFAOYSA-N
MW425.57 g/mol
LogP7.16
Rot. Bonds8

About 6,6-dimethyl-3-(2-nitroso-2-trityloxyethyl)bicyclo[3.1.0]hexane

6,6-dimethyl-3-(2-nitroso-2-trityloxyethyl)bicyclo[3.1.0]hexane (PubChem CID 56993277) has the molecular formula C29H31NO2 and a molecular weight of 425.57 g/mol. Its IUPAC name is 6,6-dimethyl-3-(2-nitroso-2-trityloxyethyl)bicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6,6-dimethyl-3-(2-nitroso-2-trityloxyethyl)bicyclo[3.1.0]hexane
PubChem CID56993277
Molecular FormulaC29H31NO2
Molecular Weight425.57 g/mol
Exact Mass425.24
IUPAC Name6,6-dimethyl-3-(2-nitroso-2-trityloxyethyl)bicyclo[3.1.0]hexane
SMILESCC1(C)C2CC(CC(N=O)OC(c3ccccc3)(c3ccccc3)c3ccccc3)CC21
InChIInChI=1S/C29H31NO2/c1-28(2)25-18-21(19-26(25)28)20-27(30-31)32-29(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,21,25-27H,18-20H2,1-2H3
InChIKeyOQZNUTJFZTZHEI-UHFFFAOYSA-N
XLogP7.16
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.57
LogP ≤ 57.16
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

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1-(trityloxymethyl)cyclopropane-1-carbaldehyde
CID 59313181
2-trityloxypropane-1,3-diol
CID 174565269
(1R,3R,4R,6S)-3-(2-methoxy-2-phenylpropyl)selanyl-4,7,7-trimethylbicyclo[4.1.0]heptane
CID 11843658
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CID 100913786
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CID 70572860
methyl (2R,3S,4S)-3-hydroxy-2-methyl-4-[(4R,5R)-2,2,5-trimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]pentanoate
CID 163053012
lithium 2-trityloxybut-3-enylcycloheptane
CID 163796901
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CID 88869957

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-(2-nitroso-2-trityloxyethyl)bicyclo[3.1.0]hexane?
The IUPAC name of 6,6-dimethyl-3-(2-nitroso-2-trityloxyethyl)bicyclo[3.1.0]hexane (CID 56993277) is 6,6-dimethyl-3-(2-nitroso-2-trityloxyethyl)bicyclo[3.1.0]hexane.
What is the SMILES notation for 6,6-dimethyl-3-(2-nitroso-2-trityloxyethyl)bicyclo[3.1.0]hexane?
The canonical SMILES for 6,6-dimethyl-3-(2-nitroso-2-trityloxyethyl)bicyclo[3.1.0]hexane is CC1(C)C2CC(CC(N=O)OC(c3ccccc3)(c3ccccc3)c3ccccc3)CC21.
What is the InChIKey of 6,6-dimethyl-3-(2-nitroso-2-trityloxyethyl)bicyclo[3.1.0]hexane?
The InChIKey is OQZNUTJFZTZHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31NO2/c1-28(2)25-18-21(19-26(25)28)20-27(30-31)32-29(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,21,25-27H,18-20H2,1-2H3.
What are the key properties of 6,6-dimethyl-3-(2-nitroso-2-trityloxyethyl)bicyclo[3.1.0]hexane?
6,6-dimethyl-3-(2-nitroso-2-trityloxyethyl)bicyclo[3.1.0]hexane has a molecular weight of 425.57 g/mol, XLogP of 7.16, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-(2-nitroso-2-trityloxyethyl)bicyclo[3.1.0]hexane is sourced from PubChem (CID 56993277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).