(4R)-4-cyclohexyl-2-methyl-5-(5-methyl-5,6-dihydronaphthalen-1-yl)-5-naphthalen-1-yl-1,3,2-oxazaborolidine

C30H34BNO — CID 163796049

IUPAC(4R)-4-cyclohexyl-2-methyl-5-(5-methyl-5,6-dihydronaphthalen-1-yl)-5-naphthalen-1-yl-1,3,2-oxazaborolidine
SMILESCB1N[C@H](C2CCCCC2)C(c2cccc3c2C=CCC3C)(c2cccc3ccccc23)O1
InChIInChI=1S/C30H34BNO/c1-21-11-8-18-26-24(21)17-10-20-28(26)30(27-19-9-15-22-12-6-7-16-25(22)27)29(32-31(2)33-30)23-13-4-3-5-14-23/h6-10,12,15-21,23,29,32H,3-5,11,13-14H2,1-2H3/t21?,29-,30?/m1/s1
InChIKeyNAWCLIPBYBBLHA-ZATZZNNRSA-N
MW435.42 g/mol
LogP7.29
Rot. Bonds3

About (4R)-4-cyclohexyl-2-methyl-5-(5-methyl-5,6-dihydronaphthalen-1-yl)-5-naphthalen-1-yl-1,3,2-oxazaborolidine

(4R)-4-cyclohexyl-2-methyl-5-(5-methyl-5,6-dihydronaphthalen-1-yl)-5-naphthalen-1-yl-1,3,2-oxazaborolidine (PubChem CID 163796049) has the molecular formula C30H34BNO and a molecular weight of 435.42 g/mol. Its IUPAC name is (4R)-4-cyclohexyl-2-methyl-5-(5-methyl-5,6-dihydronaphthalen-1-yl)-5-naphthalen-1-yl-1,3,2-oxazaborolidine.

Molecular Properties

Compound Name(4R)-4-cyclohexyl-2-methyl-5-(5-methyl-5,6-dihydronaphthalen-1-yl)-5-naphthalen-1-yl-1,3,2-oxazaborolidine
PubChem CID163796049
Molecular FormulaC30H34BNO
Molecular Weight435.42 g/mol
Exact Mass435.27
IUPAC Name(4R)-4-cyclohexyl-2-methyl-5-(5-methyl-5,6-dihydronaphthalen-1-yl)-5-naphthalen-1-yl-1,3,2-oxazaborolidine
SMILESCB1N[C@H](C2CCCCC2)C(c2cccc3c2C=CCC3C)(c2cccc3ccccc23)O1
InChIInChI=1S/C30H34BNO/c1-21-11-8-18-26-24(21)17-10-20-28(26)30(27-19-9-15-22-12-6-7-16-25(22)27)29(32-31(2)33-30)23-13-4-3-5-14-23/h6-10,12,15-21,23,29,32H,3-5,11,13-14H2,1-2H3/t21?,29-,30?/m1/s1
InChIKeyNAWCLIPBYBBLHA-ZATZZNNRSA-N
XLogP7.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.42
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-cyclohexyl-2-methyl-5,5-dinaphthalen-1-yl-1,3,2-oxazaborolidine
CID 18676438
2,3,3a,4,5,6,7,7a-octahydro-1H-indene;naphthalene
CID 159909847
(2S)-2-naphthalen-1-ylazepane
CID 7048283
bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);ethane;tris(2-methylpropane);naphthalene;propane
CID 162282617
1-(1-propan-2-ylcyclohexyl)naphthalene
CID 57087987
(4aR,8aR)-2,3-dinaphthalen-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 11303938
4-methyl-1-naphthalen-1-ylcycloheptan-1-amine
CID 65081240
4-methyl-9-phenyl-3,4-dihydroacridine
CID 156562433
2-(5-methyl-5,6-dihydronaphthalen-1-yl)-1,2-dihydropyridine
CID 137491209
2-naphthalen-1-ylpiperidine
CID 4209523
1-naphthalen-1-yl-7-oxabicyclo[4.1.0]heptane
CID 15441962
9-(2,6-dicyclohexylphenyl)-12,13-diethyl-6,12,13-trimethyl-8-aza-11-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2(7),3,9,11(19),14,16-heptaene
CID 123938429

Frequently Asked Questions

What is the IUPAC name of (4R)-4-cyclohexyl-2-methyl-5-(5-methyl-5,6-dihydronaphthalen-1-yl)-5-naphthalen-1-yl-1,3,2-oxazaborolidine?
The IUPAC name of (4R)-4-cyclohexyl-2-methyl-5-(5-methyl-5,6-dihydronaphthalen-1-yl)-5-naphthalen-1-yl-1,3,2-oxazaborolidine (CID 163796049) is (4R)-4-cyclohexyl-2-methyl-5-(5-methyl-5,6-dihydronaphthalen-1-yl)-5-naphthalen-1-yl-1,3,2-oxazaborolidine.
What is the SMILES notation for (4R)-4-cyclohexyl-2-methyl-5-(5-methyl-5,6-dihydronaphthalen-1-yl)-5-naphthalen-1-yl-1,3,2-oxazaborolidine?
The canonical SMILES for (4R)-4-cyclohexyl-2-methyl-5-(5-methyl-5,6-dihydronaphthalen-1-yl)-5-naphthalen-1-yl-1,3,2-oxazaborolidine is CB1N[C@H](C2CCCCC2)C(c2cccc3c2C=CCC3C)(c2cccc3ccccc23)O1.
What is the InChIKey of (4R)-4-cyclohexyl-2-methyl-5-(5-methyl-5,6-dihydronaphthalen-1-yl)-5-naphthalen-1-yl-1,3,2-oxazaborolidine?
The InChIKey is NAWCLIPBYBBLHA-ZATZZNNRSA-N. The full InChI is InChI=1S/C30H34BNO/c1-21-11-8-18-26-24(21)17-10-20-28(26)30(27-19-9-15-22-12-6-7-16-25(22)27)29(32-31(2)33-30)23-13-4-3-5-14-23/h6-10,12,15-21,23,29,32H,3-5,11,13-14H2,1-2H3/t21?,29-,30?/m1/s1.
What are the key properties of (4R)-4-cyclohexyl-2-methyl-5-(5-methyl-5,6-dihydronaphthalen-1-yl)-5-naphthalen-1-yl-1,3,2-oxazaborolidine?
(4R)-4-cyclohexyl-2-methyl-5-(5-methyl-5,6-dihydronaphthalen-1-yl)-5-naphthalen-1-yl-1,3,2-oxazaborolidine has a molecular weight of 435.42 g/mol, XLogP of 7.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-cyclohexyl-2-methyl-5-(5-methyl-5,6-dihydronaphthalen-1-yl)-5-naphthalen-1-yl-1,3,2-oxazaborolidine is sourced from PubChem (CID 163796049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).